Sugi Predict

Sugi Predict / Compounds / SCHEMBL95162

SCHEMBL95162

SCHEMBL95162

CC(C)(C)c1ccc(-c2noc(CO)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.64
▸ TP53 P04637 6/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ KLF5 Q13887 2/20 0.64
▸ NOTUM Q6P988 2/20 0.64
▸ NPC1 O15118 7/20 0.63
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ TSHR P16473 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPT P10636 5/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL95543 0.88 SMN1; SMN2 (0.69) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL157198 0.85 RAB9A (0.62) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL6504714 0.84 S1PR1 (0.65) NOTUMMAPTLMNA
SCHEMBL95161 0.84 TP53 (0.64) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL2245578 0.84 TP53 (0.60) RAB9ATP53SMN1; SMN2KLF5NOTUM
SCHEMBL6527881 0.81 NOTUM (0.70) RAB9ASMN1; SMN2NOTUMNPC1TSHR
SCHEMBL95542 0.81 SMN1; SMN2 (0.69) RAB9ATP53SMN1; SMN2KLF5NPC1
SCHEMBL6528506 0.79 NOTUM (0.66) RAB9ATP53SMN1; SMN2NOTUMNPC1
SCHEMBL5356293 0.78 NOTUM (1.00) RAB9ASMN1; SMN2NOTUMNPC1CYP1A2
SCHEMBL14948949 0.78 NOTUM (0.70) RAB9ASMN1; SMN2NOTUMNPC1ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 — — US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 — — US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 — — US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 — — US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 — — US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 — — US disclosed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 — — EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 — — WO disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 — — EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 RAB9A 3206/4885TP53 4201/4885SMN1; SMN2 3101/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB RAB9A 3886/4885TP53 3154/4885SMN1; SMN2 3998/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 RAB9A 2999/4885TP53 4077/4885SMN1; SMN2 3012/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885TP53 1280/4885SMN1; SMN2 3084/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 RAB9A 2273/4885TP53 1280/4885SMN1; SMN2 3084/4885

“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.