SCHEMBL2592980

SCHEMBL2592980

CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(C=O)cc3CCCCCC)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.33
▸ GPR35 Q9HC97 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ G6PD P11413 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18045604 0.99 GPR35 (0.33) DPP4GPR35HIF1AEPAS1TP53
SCHEMBL12913130 0.99 GPR35 (0.33) DPP4GPR35HIF1AEPAS1TP53
SCHEMBL18090330 0.97 DPP4 (0.32) DPP4GPR35HIF1AEPAS1
SCHEMBL16705790 0.95 GPR35 (0.31) GPR35HIF1AEPAS1
SCHEMBL15724556 0.95 GPR35 (0.31) GPR35HIF1AEPAS1
SCHEMBL12913160 0.94 DPP4 (0.33) DPP4ALDH1A1
SCHEMBL13410220 0.90 MEN1 (0.32) GPR35TP53CYP3A4ALOX15TSHR
SCHEMBL18045595 0.90 DPP4 (0.39) DPP4GPR35HIF1AEPAS1CYP3A4
SCHEMBL13410257 0.89 MEN1 (0.31) GPR35TP53CYP3A4ALOX15TSHR
SCHEMBL26088965 0.86 DPP4 (0.40) DPP4GPR35HIF1AEPAS1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 — — US disclosed
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 — — US disclosed
EP-2209788-B1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2013-09-04 — — EP disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 — — US disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 — — US disclosed
US-8441002-B2 Organic semiconductor composite, organic transistor material and organic field effect transistor TORAY INDUSTRIES, INC. (JP) 2013-05-14 — — US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 — — US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 — — US disclosed
EP-2566848-A1 IMPROVED OLIGOTHIOPHENES Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-13 — — EP disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — WO disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — WO disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 — — US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 — — US disclosed
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 — — US disclosed
WO-2009047104-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (CH) 2009-04-16 — — 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 (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-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE PPOX, PIN1, DDT DPP4 2935/4885GPR35 3943/4885HIF1A 4361/4885
US-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 DPP4 4832/4885GPR35 199/4885HIF1A 3315/4885

“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.

Send feedback