Sugi Predict

Sugi Predict / Compounds / SCHEMBL1996269

SCHEMBL1996269

SCHEMBL1996269

CC(C)(C)OC(=O)C(O)=CC(=O)c1ccco1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28381236 0.99 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3310544 0.82 MAOB (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3310542 0.82 MAOB (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
Lithium Ion SCHEMBL1996267 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKMT2A
Lithium Ion SCHEMBL1996265 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL29245931 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL15563661 0.78 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL15563662 0.78 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL18604613 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL18604615 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 — — CN disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 — — US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 — — US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 — — US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 — — US disclosed
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — US disclosed
US-8470854-B2 Lactam-containing compounds and derivatives thereof as factor XA inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-06-25 — — US disclosed
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 — — US disclosed
US-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 — — US disclosed
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 — — US disclosed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 — — US disclosed
EP-1465892-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-13 — — EP disclosed
EP-1427415-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-06-16 — — EP disclosed
US-20030232804-A1 Glycinamides as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 — — US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 — — US disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 — — US disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO disclosed
WO-2003048158-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030232804-A1 Glycinamides as factor Xa inhibitors F11, F13B, F12 NPC1 3082/4885RAB9A 1226/4885SMN1; SMN2 3391/4885
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NPC1 3276/4885RAB9A 2582/4885SMN1; SMN2 3271/4885
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 NPC1 3669/4885RAB9A 1214/4885SMN1; SMN2 2553/4885
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NPC1 3276/4885RAB9A 2582/4885SMN1; SMN2 3271/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NPC1 3299/4885RAB9A 2581/4885SMN1; SMN2 3212/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 NPC1 3221/4885RAB9A 1852/4885SMN1; SMN2 3095/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NPC1 3276/4885RAB9A 2582/4885SMN1; SMN2 3271/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 NPC1 3299/4885RAB9A 2581/4885SMN1; SMN2 3212/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NPC1 3299/4885RAB9A 2581/4885SMN1; SMN2 3212/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NPC1 3299/4885RAB9A 2581/4885SMN1; SMN2 3212/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 NPC1 2683/4885RAB9A 932/4885SMN1; SMN2 3042/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.