Sugi Predict

Sugi Predict / Compounds / SCHEMBL9939761

SCHEMBL9939761

SCHEMBL9939761

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1cccc(O)c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 20/20 0.85
▸ ABCC3 O15438 1/20 0.85
▸ ABCC4 O15439 1/20 0.85
▸ ABCB11 O95342 1/20 0.85
▸ CYP2C8 P10632 1/20 0.85
▸ CYP2C9 P11712 1/20 0.85
▸ ABCB4 P21439 1/20 0.85
▸ ABCC2 Q92887 1/20 0.85
▸ SLCO1B3 Q9NPD5 1/20 0.85
▸ SLCO1B1 Q9Y6L6 1/20 0.85
▸ LPAR3 Q9UBY5 13/20 0.62
▸ HRH1 P35367 1/20 0.53
▸ LPAR2 Q9HBW0 2/20 0.49

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
SCHEMBL343802 1.00 LPAR1 (0.85) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL344196 0.93 LPAR1 (0.85) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL344195 0.93 LPAR1 (0.85) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343993 0.92 LPAR1 (0.84) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL14590 0.92 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL344742 0.92 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL343068 0.92 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343788 0.92 LPAR1 (0.82) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL22257227 0.91 LPAR1 (0.98) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14794837 0.91 LPAR1 (0.98) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648726-B1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2018-04-04 — — EP disclosed
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 — — US disclosed
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-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
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-09-26 — — US disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 — — WO 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 1/4885ABCC3 3549/4885ABCC4 3516/4885
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 LPAR1 1/4885ABCC3 3698/4885ABCC4 3764/4885

“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.