SCHEMBL6451713

SCHEMBL6451713

COc1ccc(-c2csc(C=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 4/20 0.47
CYP2A6 P11509 1/20 0.47
ERN1 O75460 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PGR P06401 1/20 0.43
ESR2 Q92731 1/20 0.42
DYRK1A Q13627 2/20 0.42
APP P05067 1/20 0.41
POLB P06746 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL2591124 0.81 ALDH1A1 (0.57) MAPTALDH1A1CYP2A6ERN1NPC1
SCHEMBL2321226 0.79 PGR (0.49) MAPTALDH1A1CYP2A6NPC1RAB9A
SCHEMBL8351573 0.79 ERN1 (0.53) MAPTALDH1A1ERN1MAPK1PGR
SCHEMBL5957219 0.79
SCHEMBL6142330 0.78 MMP12 (0.45) MMP12MMP13ABL1
SCHEMBL30104097 0.78 PGR (0.44) CYP2A6PGR
SCHEMBL6057498 0.77 PGR (0.43) ALDH1A1CYP2A6PGR
SCHEMBL2491193 0.76 RARB (0.52) ERN1TP53
SCHEMBL12177559 0.76 ALAD (0.53) MAPTALDH1A1ERN1RAB9ASMN1; SMN2
SCHEMBL2320780 0.76 PGR (0.42) MAPTALDH1A1RAB9APGRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed
EP-0032432-B1 PROSTANOID COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 1985-07-24 EP disclosed
US-4438111-A PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA GLAXO GROUP LIMITED (GB) 1984-03-20 US disclosed
EP-0032432-A1 Prostanoid compounds and their preparation and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1981-07-22 EP 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 MAPT 3516/4885ALDH1A1 563/4885CYP2A6 80/4885

“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.