SCHEMBL21097258

SCHEMBL21097258

Cn1nnc(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)cn2)c1CNC(=O)OCCC1CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 8/20 0.63
▸ ABCB11 O95342 3/20 0.63
▸ LPAR1 Q92633 7/20 0.48
▸ ABCC3 O15438 2/20 0.47
▸ ABCC4 O15439 2/20 0.47
▸ SLCO1B3 Q9NPD5 2/20 0.47
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ DGAT1 O75907 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ACACB O00763 1/20 0.31

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
SCHEMBL21097257 1.00 SLCO1B1 (0.63) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22436303 0.92 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21994144 0.92 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL22436301 0.92 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21057881 0.92 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21097275 0.90 SLCO1B1 (0.62) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21097274 0.90 SLCO1B1 (0.62) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21097158 0.90 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21097163 0.90 SLCO1B1 (0.64) SLCO1B1ABCB11LPAR1ABCC3ABCC4
SCHEMBL21097155 0.90 SLCO1B1 (0.62) SLCO1B1ABCB11LPAR1ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 — — US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 — — 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-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885LPAR1 2/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1395/4885ABCB11 1766/4885LPAR1 2/4885

“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.

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