SCHEMBL15280700

SCHEMBL15280700

C=C(OC)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCC)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.56
CYP2C9 P11712 2/20 0.56
ABCC3 O15438 1/20 0.56
ABCC4 O15439 1/20 0.56
ABCB11 O95342 1/20 0.56
CYP2C8 P10632 1/20 0.56
ABCB4 P21439 1/20 0.56
ABCC2 Q92887 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.40
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 3/20 0.35
CYP2C19 P33261 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 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
SCHEMBL15280710 0.91 LPAR1 (0.59) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9939470 0.90 LPAR1 (0.58) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2761479 0.89 LPAR1 (0.69) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2761309 0.89 LPAR1 (0.59) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2761310 0.86 LPAR1 (0.58) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL15280702 0.84 LPAR1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL15280712 0.82 LPAR1 (0.79) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2761256 0.81 LPAR1 (0.73) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL342922 0.81 LPAR1 (0.53) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4163 0.80 LPAR1 (0.54) LPAR1CYP2C9ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-09-26 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 (2 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-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4014/4885ABCC3 3549/4885
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4198/4885ABCC3 3698/4885

“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.