SCHEMBL1061984

SCHEMBL1061984

CCc1cc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1Cc1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.49
▸ EDNRB P24530 7/20 0.41
▸ FEN1 P39748 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CMA1 P23946 2/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL1061999 0.91 SMO (0.47) SMOEDNRBEPHX2MEN1KMT2A
SCHEMBL1061882 0.91 SMO (0.46) SMOEDNRBMEN1KMT2ACMA1
SCHEMBL12932733 0.89 SMO (0.50) SMOMEN1KMT2ACMA1THRB
SCHEMBL1061436 0.89 SMO (0.49) SMOMEN1KMT2ACMA1
SCHEMBL12962853 0.88 SMO (0.42) SMOEDNRBEPHX2MEN1KMT2A
SCHEMBL1061404 0.87 SMO (0.53) SMOMEN1PKMKMT2A
SCHEMBL27945308 0.86 SMO (0.55) SMOMEN1KMT2A
SCHEMBL12932727 0.85 SMO (0.46) SMOEDNRBCMA1
SCHEMBL1057336 0.85 SMO (0.48) SMOFEN1MEN1KMT2A
SCHEMBL1060988 0.84 SMO (0.48) SMOEDNRBFEN1MAPK8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
CN-102015705-B Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2013-11-13 — — CN disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
EP-2247588-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-11-10 — — EP disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885EDNRB 508/4885FEN1 4451/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMO 1/4885EDNRB 539/4885FEN1 4511/4885

“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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