SCHEMBL15280707

SCHEMBL15280707

C=C(O)C1(c2ccc(-c3ccc(-c4onc(C)c4N)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
LPAR1 Q92633 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 2/20 0.33
TDO2 P48775 1/20 0.31
ALOX5AP P20292 3/20 0.31
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9939476 0.87 LPAR1 (0.54) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14711649 0.80 MAP4K4 (0.49) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL12986987 0.80 ABCC3 (0.40) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL885 0.79 OPRM1 (0.44) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL15280705 0.79 PTGS2 (0.38) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL5185 0.77 LPAR1 (0.43) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL5016 0.76 OPRM1 (0.44) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL13388 0.75 BRD4 (0.53) LPAR1ALDH1A1MAPTSMN1; SMN2BRD4
SCHEMBL15280710 0.74 LPAR1 (0.59) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14789798 0.73 RAB9A (0.40) CYP2C9ALDH1A1MAPTSMN1; SMN2BRD4

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 ABCC3 3549/4885ABCC4 3516/4885ABCB11 1223/4885
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 ABCC3 3698/4885ABCC4 3764/4885ABCB11 1369/4885

“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.