SCHEMBL347742

SCHEMBL347742

COc1ccc(N2CCN(c3nc(-c4ccccc4)c(/C=C/C(=O)O)s3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 6/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CETP P11597 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
BLM P54132 1/20 0.45
GAA P10253 3/20 0.44
SIRT1 Q96EB6 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL347743 1.00 CA12 (0.55) CA12CA2CA9ALDH1A1NPSR1
SCHEMBL4087650 0.92 CA12 (0.56) CA12CA2CA9ALDH1A1NPSR1
SCHEMBL4087652 0.92 CA12 (0.56) CA12CA2CA9ALDH1A1NPSR1
SCHEMBL4091068 0.86 ALDH1A1 (0.65) CA12CA2CA9ALDH1A1NPSR1
SCHEMBL347930 0.83 ALDH1A1 (0.63) ALDH1A1NPSR1HTTLMNATP53
SCHEMBL4093773 0.81 ALDH1A1 (0.61) ALDH1A1NPSR1HTTLMNATP53
SCHEMBL347552 0.79 PTGDR2 (0.62) ALDH1A1NPSR1HTTADORA3KMT2A
SCHEMBL348279 0.78 CETP (0.56) ALDH1A1NPSR1HTTLMNATP53
SCHEMBL4086525 0.78 DHODH (0.59) ALDH1A1NPSR1HTTLMNATP53
SCHEMBL4085482 0.78 AR (0.65) ALDH1A1NPSR1HTTLMNATP53

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-20160199386-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2016-07-14 US claimed
US-20120015001-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2012-01-19 US claimed
US-9750749-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2017-09-05 US disclosed
US-20160199386-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2016-07-14 US disclosed
US-9320723-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2016-04-26 US disclosed
US-20120015001-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2012-01-19 US disclosed
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
EP-1922312-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-05-21 EP disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 WO disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 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 (1 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-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists PTGDR2, PTGDR, PTGER2 CA12 3414/4885CA2 479/4885CA9 1019/4885

“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.