Sugi Predict

Sugi Predict / Compounds / SCHEMBL9939476

SCHEMBL9939476

SCHEMBL9939476

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 11/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ ABCC3 O15438 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ CYP2C8 P10632 1/20 0.54
▸ ABCB4 P21439 1/20 0.54
▸ ABCC2 Q92887 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ MAP4K4 O95819 2/20 0.40
▸ AKR1C1 Q04828 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ APP P05067 1/20 0.38

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
SCHEMBL14711649 0.93 MAP4K4 (0.49) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL15280707 0.87 ABCC3 (0.42) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9939475 0.84 LPAR1 (0.54) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL885 0.84 OPRM1 (0.44) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL14794645 0.83 LPAR1 (0.53) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL5185 0.82 LPAR1 (0.43) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL12986987 0.82 ABCC3 (0.40) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597706 0.82 LPAR1 (0.63) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6674 0.82 LPAR1 (0.53) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597715 0.82 LPAR1 (0.58) 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 5 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-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-09-08 — — 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 (3 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
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR LPAR1, LPAR3, LPAR2 LPAR1 1/4885CYP2C9 4604/4885ABCC3 2753/4885

“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.