SCHEMBL416571

SCHEMBL416571

O=C(c1cc(-c2cc(F)cc(Cl)c2)c(-c2ccc(F)c(Cl)c2)o1)N1CCSC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.38
RPA1 P27694 1/20 0.35
DPP7 Q9UHL4 7/20 0.34
DPP8 Q6V1X1 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN2B Q13224 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL415891 0.85 RAB9A (0.44) NPC1RAB9AALDH1A1MAPT
SCHEMBL417405 0.84 DPP4 (0.41) DPP4DPP7
SCHEMBL416781 0.81 RPA1 (0.34) RPA1NPC1RAB9AHRH4
SCHEMBL418233 0.80 HSP90AA1 (0.40) DPP4RPA1DPP8RAB9A
SCHEMBL417818 0.79 RPA1 (0.53) RPA1NPC1RAB9AALDH1A1
SCHEMBL421270 0.70 PDE4B (0.40) DPP4DPP8RAB9A
SCHEMBL2486902 0.70 RPA1 (0.41) RPA1
SCHEMBL421837 0.69 PGR (0.32)
SCHEMBL417650 0.69 HSP90AA1 (0.40) DPP4DPP8RAB9A
SCHEMBL417013 0.69 MCHR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 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-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AADAC, DDC, TPMT DPP4 706/4885RPA1 4663/4885DPP7 1217/4885

“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.