SCHEMBL347639

SCHEMBL347639

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
GFER P55789 1/20 0.49
CETP P11597 1/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.48
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL348313 0.91 GFER (0.50) EGFRERBB2GFERCETPPTGDR2
SCHEMBL348219 0.91 AR (0.48) EGFRERBB2PTGDR2MAPTNPSR1
Trifluoroacetic Acid SCHEMBL4081620 0.87 GFER (0.46) EGFRERBB2GFERCETPPTGDR2
SCHEMBL347552 0.87 PTGDR2 (0.62) CETPPTGDR2MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL4092194 0.86 AR (0.44) EGFRERBB2PTGDR2MAPTNPSR1
SCHEMBL347529 0.82 AR (0.49) CETPMAPTNPSR1MEN1KMT2A
SCHEMBL4085482 0.80 AR (0.65) CETPPTGDR2MAPTNPSR1MEN1
SCHEMBL4081611 0.80 MAPT (0.59) CETPPTGDR2MAPTNPSR1MEN1
SCHEMBL348279 0.80 CETP (0.56) CETPPTGDR2MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL4090815 0.78 ALDH1A1 (0.46) CETPMAPTNPSR1MEN1KMT2A

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 10 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
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 EGFR 1334/4885ERBB2 279/4885GFER 904/4885

“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.