SCHEMBL347670

SCHEMBL347670

COc1ccccc1N1CCN(c2nc(-c3ccccc3)c(CC(=O)O)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
PTGDR2 Q9Y5Y4 11/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 3/20 0.49
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL347027 0.84 ALDH1A1 (0.53) GAAMEN1KMT2AMAPTNPC1
SCHEMBL347552 0.83 PTGDR2 (0.62) GAAPTGDR2MEN1KMT2AMAPT
SCHEMBL347924 0.82 AR (0.58) GAAPTGDR2MEN1KMT2AMAPT
SCHEMBL4093746 0.81 LMNA (0.57) GAAMEN1KMT2AMAPTNPSR1
SCHEMBL346836 0.78 PTGDR2 (0.55) PTGDR2MEN1KMT2AMAPTNPC1
Bromide SCHEMBL4087750 0.77 PTGDR2 (0.54) PTGDR2MEN1KMT2AMAPTNPC1
SCHEMBL3768315 0.71 AR (0.67) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL347639 0.71 EGFR (0.51) GAAPTGDR2MEN1KMT2AMAPT
SCHEMBL4085482 0.70 AR (0.65) PTGDR2MEN1KMT2AMAPTNPC1
SCHEMBL3767883 0.70 CKS1B (0.61) MEN1KMT2AMAPTNPSR1ALDH1A1

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 GAA 3881/4885PTGDR2 1/4885MEN1 3498/4885

“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.