SCHEMBL17215440

SCHEMBL17215440

CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(F)cc4NC(=O)O[C@H](C)c4ccccc4C)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.42
LPAR3 Q9UBY5 4/20 0.42
OPRM1 P35372 8/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 3/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
HRH1 P35367 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL17215443 1.00 LPAR1 (0.42) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215378 0.93 LPAR1 (0.49) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215377 0.93 LPAR1 (0.49) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL28386251 0.93 LPAR1 (0.42) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215419 0.92 LPAR1 (0.41) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215423 0.92 LPAR1 (0.41) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215578 0.90 LPAR1 (0.39) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215579 0.90 LPAR1 (0.39) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215723 0.90 LPAR1 (0.38) LPAR1LPAR3OPRM1OPRD1OPRK1
SCHEMBL17215721 0.90 LPAR1 (0.38) LPAR1LPAR3OPRM1OPRD1OPRK1

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 10 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 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
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 1/4885OPRM1 683/4885
US-10000463-B2 Halogen-substituted heterocyclic compound LPAR1, LPAR4, LPAR2 LPAR1 1/4885LPAR3 4/4885OPRM1 791/4885
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885OPRM1 683/4885
US-10597375-B2 Halogen-substituted heterocyclic compound LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885OPRM1 683/4885

“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.