SCHEMBL348313

SCHEMBL348313

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
CETP P11597 1/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
USP2 O75604 2/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL4081620 0.95 GFER (0.46) GFERCETPMAPTSMN1; SMN2ADORA3
SCHEMBL347639 0.91 EGFR (0.51) GFERCETPMAPTSMN1; SMN2ADORA3
SCHEMBL4081611 0.86 MAPT (0.59) CETPMAPTADORA3USP2GAA
SCHEMBL348279 0.86 CETP (0.56) CETPMAPTADORA3USP2GAA
SCHEMBL4661535 0.82 NPSR1 (0.46) GFERCETPMAPTADORA3LMNA
SCHEMBL348219 0.82 AR (0.48) MAPTSMN1; SMN2GAAEGFRERBB2
SCHEMBL347552 0.82 PTGDR2 (0.62) CETPMAPTADORA3USP2GAA
SCHEMBL4081626 0.80 CETP (0.43) GFERCETPMAPTADORA3USP2
SCHEMBL4085482 0.79 AR (0.65) CETPMAPTADORA3USP2LMNA
Trifluoroacetic Acid SCHEMBL4092194 0.77 AR (0.44) MAPTSMN1; SMN2GAALMNAEGFR

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 9 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

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 GFER 904/4885CETP 4678/4885MAPT 4289/4885

“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.