Sugi Predict

Sugi Predict / Compounds / SCHEMBL2223484

SCHEMBL2223484

SCHEMBL2223484

COCCCCc1c(C(=O)O)nnn1-c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.47
▸ PPARG P37231 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ S1PR4 O95977 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ REN P00797 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL2218506 0.89 GAA (0.51) HSD11B1PPARGKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2218858 0.89 ALDH1A1 (0.43) HSD11B1PPARGKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2219018 0.88 HTT (0.52) PPARGNR1I2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2220831 0.88 REN (0.42) HSD11B1PPARGKMT2ASMN1; SMN2HTT
SCHEMBL2219586 0.87 SMN1; SMN2 (0.47) HSD11B1PPARGKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28034294 0.86 PPARG (0.42) PPARGKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2221127 0.85 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL2220649 0.82 ALDH1A1 (0.42) PPARGKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2221448 0.81 CA1 (0.44) HSD11B1PPARGKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28034366 0.81 PPARG (0.40) PPARGSMN1; SMN2ALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 — — US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 — — US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 — — US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 — — US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 — — US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 — — US disclosed
CN-103373985-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-10-28 — — CN disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 — — US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 — — US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 — — US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 — — US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 — — US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 — — US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 — — US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 — — US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 — — US disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 — — 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 (5 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HSD11B1 68/4885PPARG 269/4885NR1I2 436/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HSD11B1 76/4885PPARG 159/4885NR1I2 111/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HSD11B1 68/4885PPARG 269/4885NR1I2 436/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HSD11B1 68/4885PPARG 269/4885NR1I2 436/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE HSD11B1 68/4885PPARG 269/4885NR1I2 436/4885

“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.