SCHEMBL23607009

SCHEMBL23607009

Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 20/20 1.00
▸ LPAR1 Q92633 16/20 1.00
▸ ADRB3 P13945 1/20 1.00
▸ TSPO P30536 1/20 1.00
▸ DRD3 P35462 1/20 1.00
▸ OPRK1 P41145 1/20 1.00
▸ TMEM97 Q5BJF2 1/20 1.00
▸ LPAR4 Q99677 1/20 1.00
▸ SIGMAR1 Q99720 1/20 1.00
▸ GPR35 Q9HC97 1/20 1.00
▸ LPAR3 Q9UBY5 1/20 1.00

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
SCHEMBL26907274 0.93 LPAR2 (1.00) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL27115529 0.93 LPAR2 (0.86) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL29935930 0.93 LPAR2 (1.00) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL26907282 0.93 LPAR2 (0.86) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL26907570 0.90 LPAR2 (1.00) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL26907232 0.90 LPAR2 (1.00) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL26907573 0.87 LPAR2 (0.86) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL29936112 0.87 LPAR2 (0.86) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL29936119 0.85 LPAR2 (0.77) LPAR2LPAR1ADRB3TSPODRD3
SCHEMBL26907458 0.84 LPAR2 (1.00) LPAR2LPAR1ADRB3TSPODRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196743-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DENTIN-DENTAL PULP DISEASE OR PERIODONTAL DISEASE, CONTAINING LPAR2 INHIBITOR PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2021-07-01 — — 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 (1 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-20210196743-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DENTIN-DENTAL PULP DISEASE OR PERIODONTAL DISEASE, CONTAINING LPAR2 INHIBITOR LPAR2, LPAR1, LPAR3 LPAR2 1/4885LPAR1 2/4885ADRB3 927/4885

“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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