SCHEMBL347620

SCHEMBL347620

O=C(O)c1sc(N2CCC(c3ccccc3)CC2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HTT P42858 5/20 0.56
ALOX5 P09917 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MLYCD O95822 2/20 0.46
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
SCD5 Q86SK9 1/20 0.44
AR P10275 1/20 0.43

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
SCHEMBL8823061 0.83 ALDH1A1 (0.78) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL8823050 0.81 ALDH1A1 (0.79) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL2145802 0.81 MLYCD (0.52) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL347930 0.75 ALDH1A1 (0.63) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL347027 0.74 ALDH1A1 (0.53) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL13570838 0.74 KDM4E (0.74) ALDH1A1NPSR1SMN1; SMN2LMNAGAA
SCHEMBL27721066 0.73 ALDH1A1 (0.55) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL20027736 0.73 BTK (0.56) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL25408789 0.72 TMPRSS15 (0.59) ALDH1A1HTTALOX5NPSR1SMN1; SMN2
SCHEMBL18017537 0.71 SCN4A (0.56) ALDH1A1HTTALOX5NPSR1SMN1; SMN2

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 13 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
CN-101304985-A Thiazole compounds and their use as PGDs2AntagonistsUse of ARGENTA DISCOVERY LTD (GB) 2008-11-12 CN 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 ALDH1A1 3327/4885HTT 2735/4885ALOX5 28/4885

“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.