SCHEMBL10004307

SCHEMBL10004307

CCc1nc2sc(C(=O)O)c(OCC(F)(F)F)c2cc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ P2RY14 Q15391 2/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SENP5 Q96HI0 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ SENP1 Q9P0U3 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL10003767 0.90 KDM4E (0.44) ALDH1A1KDM4ECNR2KMT2ANPC1
SCHEMBL10003175 0.82 SMO (0.44) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10004018 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EP2RY14KMT2ANPC1
SCHEMBL10003062 0.76 LMNA (0.46) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL10003549 0.74 HTT (0.42) ALDH1A1KDM4EMAPK14KMT2ANPC1
SCHEMBL10003568 0.74 NPC1 (0.44) ALDH1A1KDM4EKMT2ANPC1MEN1
SCHEMBL10003404 0.73 HTT (0.40) ALDH1A1KDM4EMAPK14KMT2ANPC1
SCHEMBL10003167 0.73 F10 (0.40) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL10003069 0.72 SMN1; SMN2 (0.41) ALDH1A1KDM4EKMT2ANPC1MEN1
SCHEMBL10003117 0.72 LMNA (0.42) ALDH1A1KDM4EP2RY14KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH1A1 321/4885KDM4E 405/4885P2RY14 3393/4885

“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.

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