SCHEMBL17367441

SCHEMBL17367441

COc1cc(-c2sc(F)cc2NC(=O)OC(C)c2ccc(F)cc2C)ccc1-c1ccc(C2(C(C)=O)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.37
LPAR3 Q9UBY5 5/20 0.37
CTSA P10619 1/20 0.32
CHRM3 P20309 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GRIN2B Q13224 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ABL1 P00519 1/20 0.31
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
ABCB4 P21439 1/20 0.30

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
SCHEMBL17367440 0.94 LPAR1 (0.37) LPAR1LPAR3CTSACHRM3PSEN1
SCHEMBL17215580 0.94 LPAR1 (0.43) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17367437 0.92 LPAR1 (0.41) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17367439 0.92 LPAR1 (0.39) LPAR1LPAR3CHRM3PSEN1PSEN2
SCHEMBL17215441 0.91 LPAR1 (0.35) LPAR1LPAR3CTSACHRM3CHRM2
SCHEMBL17367438 0.91 LPAR1 (0.37) LPAR1LPAR3CTSACHRM3CHRM2
SCHEMBL17367458 0.90 LPAR1 (0.36) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17367434 0.89 LPAR1 (0.47) LPAR1LPAR3PSEN1PSEN2APH1B
SCHEMBL17215373 0.88 LPAR1 (0.43) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17367435 0.88 LPAR1 (0.41) LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885CTSA 2549/4885

“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.