SCHEMBL5403025

SCHEMBL5403025

COC(=O)c1ccsc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 1/20 0.34
MAPK10 P53779 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5403021 1.00 KDM4E (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5446806 0.86 ABCC1 (0.34) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5446807 0.86 ABCC1 (0.34) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5731448 0.82 ALDH1A1 (0.33) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL2431710 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL2431713 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL5731426 0.81 ALOX5 (0.34) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5436173 0.80 OPRK1 (0.35) KDM4EALDH1A1KMT2AHPGDTSHR
SCHEMBL5436177 0.80 OPRK1 (0.35) KDM4EALDH1A1KMT2AHPGDTSHR
SCHEMBL5448010 0.80 KCNB1 (0.34) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007088148-A1 DERIVATIVES OF THIOPHENE CARBOXILIC ACID AS ANTIVIRAL AGENT SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 WO disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP KDM4E 2012/4885ALDH1A1 1246/4885KMT2A 3784/4885

“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.