SCHEMBL17215367

SCHEMBL17215367

Cc1cscc1[C@@H](C)OC(=O)Nc1cc(F)sc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.46
LPAR3 Q9UBY5 10/20 0.46
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABCB4 P21439 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL17215285 1.00 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17367455 0.93 LPAR1 (0.39) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17367456 0.93 LPAR1 (0.39) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL18800858 0.92 LPAR1 (0.40) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17215336 0.91 LPAR1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL28385893 0.91 LPAR1 (0.48) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17215723 0.90 LPAR1 (0.38) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17215721 0.90 LPAR1 (0.38) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17215556 0.90 LPAR1 (0.42) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL17215512 0.90 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11

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 32 patents — showing the first 20. 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
EP-3162801-B1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2020-07-22 EP claimed
US-20180360803-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF NASH UBE INDUSTRIES, LTD. (JP) 2018-12-20 US claimed
EP-3378491-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF NASH UBE Industries, Ltd. (JP) 2018-09-26 EP claimed
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2018-09-13 US claimed
US-10023554-B2 Halogen-substituted heterocyclic compound salt UBE INDUSTRIES, LTD. (JP) 2018-07-17 US claimed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 EP claimed
US-20170158663-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND SALT UBE INDUSTRIES, LTD. (JP) 2017-06-08 US claimed
EP-3162801-A1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE Industries, Ltd. (JP) 2017-05-03 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-3162801-B1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2020-07-22 EP disclosed
EP-3162801-B1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2020-07-22 EP disclosed
US-10597375-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2020-03-24 US disclosed
EP-3162801-A1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE Industries, Ltd. (JP) 2017-05-03 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 (6 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-20170158663-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND SALT LPAR1, LPAR3, LPAR2 LPAR1 1/4885LPAR3 2/4885ABCC3 2344/4885
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885ABCC3 607/4885
US-20180360803-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF NASH LIPC, LPAR1, LPAR3 LPAR1 2/4885LPAR3 3/4885ABCC3 556/4885
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885ABCC3 607/4885
US-10023554-B2 Halogen-substituted heterocyclic compound salt LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885ABCC3 2353/4885
US-10597375-B2 Halogen-substituted heterocyclic compound LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885ABCC3 607/4885

“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.