SCHEMBL17215313

SCHEMBL17215313

COc1cc(-c2sc(Cl)cc2NC(=O)O[C@H](C)c2ccc(F)cc2F)ccc1-c1ccc(C2(C(=O)O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.45
LPAR3 Q9UBY5 8/20 0.45
CYP3A4 P08684 5/20 0.37
CYP2C9 P11712 5/20 0.37
APP P05067 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.35
AKR1C3 P42330 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
AKR1C2 P52895 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34

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
SCHEMBL17215315 1.00 LPAR1 (0.45) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215501 0.94 LPAR1 (0.42) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215356 0.94 LPAR1 (0.45) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215354 0.94 LPAR1 (0.45) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17367425 0.94 LPAR1 (0.39) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215502 0.94 LPAR1 (0.42) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215541 0.93 LPAR1 (0.42) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215577 0.93 LPAR1 (0.43) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215475 0.93 LPAR1 (0.46) LPAR1LPAR3CYP3A4CYP2C9APP
SCHEMBL17215477 0.93 LPAR1 (0.46) LPAR1LPAR3CYP3A4CYP2C9APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 EP claimed
US-10597375-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2020-03-24 US claimed
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2018-09-13 US claimed
US-10000463-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2018-06-19 US claimed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 EP claimed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US claimed
EP-2940013-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE Industries, Ltd. (JP) 2015-11-04 EP claimed
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 EP disclosed
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 EP disclosed
US-10597375-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2020-03-24 US disclosed
US-10597375-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2020-03-24 US disclosed
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2018-09-13 US disclosed
US-10000463-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2018-06-19 US disclosed
US-10000463-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2018-06-19 US disclosed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 EP disclosed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 EP disclosed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US disclosed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US disclosed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US disclosed
EP-2940013-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE Industries, Ltd. (JP) 2015-11-04 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 (4 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 1/4885CYP3A4 2468/4885
US-10000463-B2 Halogen-substituted heterocyclic compound LPAR1, LPAR4, LPAR2 LPAR1 1/4885LPAR3 4/4885CYP3A4 2322/4885
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885CYP3A4 2468/4885
US-10597375-B2 Halogen-substituted heterocyclic compound LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885CYP3A4 2468/4885

“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.