SCHEMBL348219

SCHEMBL348219

O=C(Cc1sc(N2CCN(c3ccccc3)CC2)nc1-c1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
ALOX5 P09917 7/20 0.46
PTGES O14684 5/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
EGFR P00533 1/20 0.40

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 SCHEMBL4092194 0.94 AR (0.44) ARALOX5PTGESKMT2AMEN1
SCHEMBL347639 0.91 EGFR (0.51) KMT2AMEN1NPSR1MAPTALDH1A1
SCHEMBL347924 0.85 AR (0.58) ARALOX5KMT2AMEN1NPSR1
Trifluoroacetic Acid SCHEMBL4090815 0.84 ALDH1A1 (0.46) ARALOX5KMT2AMEN1NPSR1
SCHEMBL348313 0.82 GFER (0.50) KMT2AMEN1NPSR1MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL4081620 0.78 GFER (0.46) KMT2AMEN1NPSR1MAPTALDH1A1
SCHEMBL4630951 0.76 AR (0.47) ARALOX5KMT2AMEN1NPSR1
SCHEMBL347552 0.75 PTGDR2 (0.62) ARKMT2AMEN1NPSR1MAPT
SCHEMBL4092197 0.74 AR (0.41) ARALOX5KMT2AMEN1NPSR1
SCHEMBL5813952 0.72 EGFR (0.54) MAPTGAAPTGDR2EGFRERBB2

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 AR 784/4885ALOX5 28/4885PTGES 13/4885

“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.