SCHEMBL3058715

SCHEMBL3058715

O=C(O)Cc1cc(C(=O)c2ccc(Cl)cc2)sc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RXFP1 Q9HBX9 2/20 0.55
MAPT P10636 6/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP1A2 P05177 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
PPARG P37231 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.44
PTGDR2 Q9Y5Y4 5/20 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
SCHEMBL15546267 0.95 KMT2A (0.57) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL16893446 0.90 MAPT (0.57) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL3060581 0.88 KMT2A (0.49) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL16893457 0.87 KMT2A (0.53) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL16904651 0.87 MAPT (0.68) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL3053459 0.87 MEN1 (0.50) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL15545992 0.86 KMT2A (0.57) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL16893434 0.86 MEN1 (0.57) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL15545878 0.86 RXFP1 (0.75) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL15545929 0.84 MEN1 (0.63) KMT2AMEN1RXFP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
EP-2875010-B1 THIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-08-31 EP disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-8492428-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-07-23 US disclosed
US-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-10-14 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 (2 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-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, RAC2, BTN3A1 KMT2A 3518/4885MEN1 3207/4885RXFP1 280/4885
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES SLC5A2, SLC5A1, TPMT KMT2A 4602/4885MEN1 4184/4885RXFP1 3837/4885

“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.