SCHEMBL348279

SCHEMBL348279

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.56
MAPT P10636 4/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HTT P42858 1/20 0.52
ADORA3 P0DMS8 1/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.48
AR P10275 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL4081611 0.92 MAPT (0.59) CETPMAPTGAAALDH1A1NPSR1
SCHEMBL347552 0.90 PTGDR2 (0.62) CETPMAPTGAAALDH1A1NPSR1
SCHEMBL4085482 0.86 AR (0.65) CETPMAPTALDH1A1NPSR1HTT
SCHEMBL348313 0.86 GFER (0.50) CETPMAPTGAAALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL4081620 0.83 GFER (0.46) CETPMAPTGAAALDH1A1NPSR1
SCHEMBL4661535 0.83 NPSR1 (0.46) CETPMAPTALDH1A1NPSR1HTT
SCHEMBL347930 0.83 ALDH1A1 (0.63) CETPMAPTGAAALDH1A1NPSR1
SCHEMBL4093773 0.81 ALDH1A1 (0.61) CETPMAPTGAAALDH1A1NPSR1
SCHEMBL4630926 0.81 DHODH (0.54) CETPMAPTGAAALDH1A1NPSR1
SCHEMBL4081626 0.80 CETP (0.43) CETPMAPTGAAALDH1A1NPSR1

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 CETP 4678/4885MAPT 4289/4885GAA 3881/4885

“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.