SCHEMBL17215445

SCHEMBL17215445

CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(F)cc4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.47
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB4 P21439 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
HRH1 P35367 1/20 0.46
LPAR3 Q9UBY5 11/20 0.46
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNA3 P22001 1/20 0.40

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
SCHEMBL17215446 1.00 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215630 0.93 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215598 0.93 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215400 0.92 OPRM1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215398 0.92 OPRM1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215320 0.90 LPAR1 (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215325 0.90 LPAR1 (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215377 0.90 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215443 0.90 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL17215440 0.90 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 11 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
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 2/4885ABCC3 607/4885ABCC4 1383/4885
US-10000463-B2 Halogen-substituted heterocyclic compound LPAR1, LPAR4, LPAR2 LPAR1 1/4885ABCC3 1823/4885ABCC4 1635/4885
US-20180258062-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 LPAR1 2/4885ABCC3 607/4885ABCC4 1383/4885
US-10597375-B2 Halogen-substituted heterocyclic compound LPAR3, LPAR1, LPAR2 LPAR1 2/4885ABCC3 607/4885ABCC4 1383/4885

“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.