SCHEMBL10003383

SCHEMBL10003383

CCc1ccc(-c2cc3c(OCC(F)(F)F)c(C(=O)O)n(C)c3nc2CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ FFAR4 Q5NUL3 3/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL10002905 0.92 GRIA2 (0.38) SCN9ARXRAL3MBTL1
SCHEMBL10003409 0.92 GRIA2 (0.36) SCN9ARXRAL3MBTL1
SCHEMBL10003244 0.92 PTPN11 (0.39) PTGS2SCN9AMRGPRX4PPARGPPARA
SCHEMBL10003096 0.92 GRIA2 (0.35) SCN9ARXRAL3MBTL1
SCHEMBL10003970 0.91 GRIA2 (0.37) PTGES
SCHEMBL10003298 0.90 ALDH1A1 (0.37) ALPIL3MBTL1
SCHEMBL10003500 0.90 PTPN11 (0.41) PTGS1PTGS2SCN9A
SCHEMBL10003154 0.90 PDE3B (0.38) SCN9ARXRAL3MBTL1
SCHEMBL10003659 0.89 RXRA (0.35) PTGESSCN9ARXRAL3MBTL1
SCHEMBL10003313 0.88 PRKAB2 (0.37) FFAR4PPARA

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 ALPI 2498/4885PTGES 1468/4885FFAR4 2589/4885

“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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