SCHEMBL346836

SCHEMBL346836

O=C(O)Cc1sc(N2CCN(Cc3ccccc3)CC2)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.55
KDM4E B2RXH2 5/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
AR P10275 2/20 0.51
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
Bromide SCHEMBL4087750 0.99 PTGDR2 (0.54) PTGDR2KDM4EPOLBMEN1KMT2A
SCHEMBL347924 0.85 AR (0.58) PTGDR2KDM4EPOLBMEN1KMT2A
SCHEMBL347552 0.78 PTGDR2 (0.62) PTGDR2KDM4EPOLBMEN1KMT2A
SCHEMBL347670 0.78 GAA (0.55) PTGDR2KDM4EPOLBMEN1KMT2A
SCHEMBL4497493 0.72 PTGDR2 (1.00) PTGDR2KDM4EPOLBKMT2AALDH1A1
SCHEMBL3768315 0.72 AR (0.67) RAB9ANPC1ALDH1A1HPGDAR
SCHEMBL10220617 0.72 ALDH1A1 (0.54) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10220600 0.72 RAB9A (0.72) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL348219 0.72 AR (0.48) PTGDR2KDM4EPOLBMEN1KMT2A
SCHEMBL347529 0.70 AR (0.49) KDM4EMEN1KMT2AALDH1A1HPGD

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 PTGDR2 1/4885KDM4E 4408/4885POLB 3246/4885

“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.