SCHEMBL2977233

SCHEMBL2977233

COC(=O)c1ccc(C(=O)c2ccc[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL520445 0.83
SCHEMBL2720450 0.82 RAB9A (0.64) RAB9ANPC1CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL28479173 0.81 RAB9A (0.46) RAB9ANPC1TSHRKDM4EGAA
Ammonia Solution, Strong SCHEMBL28522761 0.81 RAB9A (0.46) RAB9ANPC1TSHRKDM4EGAA
Hydrochloric Acid SCHEMBL30725878 0.81 RAB9A (0.62) RAB9ANPC1CA1CA2ALDH1A1
SCHEMBL2353757 0.79 ALDH1A1 (0.58) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL10151693 0.79 ALDH1A1 (0.50) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL6420260 0.78 RAB9A (0.46) RAB9ANPC1TSHRALDH1A1KDM4E
SCHEMBL2337244 0.78 CA1 (0.70) RAB9ANPC1TSHRCA1CA2
SCHEMBL14245491 0.78 RAB9A (0.44) RAB9ANPC1TSHRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US 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 (4 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 RAB9A 2398/4885NPC1 1550/4885TSHR 2553/4885
US-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 RAB9A 1207/4885NPC1 115/4885TSHR 1079/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 RAB9A 1362/4885NPC1 108/4885TSHR 1325/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 RAB9A 2817/4885NPC1 1651/4885TSHR 2862/4885

“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.