SCHEMBL10003906

SCHEMBL10003906

CCc1cc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.48
▸ TRPA1 O75762 2/20 0.36
▸ MAPK14 Q16539 2/20 0.34
▸ GRIA2 P42262 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SGMS2 Q8NHU3 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PPARG P37231 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
SCHEMBL10004152 0.90 SMO (0.47) SMOTRPA1NPC1RAB9ASMN1; SMN2
SCHEMBL10004618 0.88 SMO (0.51) SMOTRPA1PPARG
SCHEMBL10004446 0.87 SMO (0.47) SMOTRPA1GRIA2GRIA4PPARG
SCHEMBL10003908 0.85 SMO (0.47) SMOGRIA2GRIA4SMN1; SMN2PPARG
SCHEMBL10003374 0.83 SMO (0.47) SMOPPARG
SCHEMBL10003999 0.83 SMO (0.46) SMOGRIA2GRIA4CMA1PPARG
SCHEMBL1062658 0.82 SMO (0.68) SMONPC1RAB9A
SCHEMBL1061404 0.82 SMO (0.53) SMOSMN1; SMN2TSHR
SCHEMBL16564595 0.81 PDE7A (0.36) MAPK14GRIA2GRIA4TSHRPDE7A
SCHEMBL1057222 0.81 SMO (0.52) SMOSMN1; SMN2TSHRSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885TRPA1 1715/4885MAPK14 1332/4885

“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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