SCHEMBL20618507

SCHEMBL20618507

COc1ccc([C@H](CC2CCN(C(=O)OC(C)C)CC2)NC(=O)c2ccc(Cl)s2)cn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ GPR119 Q8TDV5 15/20 0.40
▸ SLC8A1 P32418 2/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL28355162 1.00 ITGB1 (0.40) ITGB1ITGA4GPR119SLC8A1GRIN2B
SCHEMBL20601420 0.90 ITGB1 (0.44) ITGB1ITGA4SLC8A1MMP13
SCHEMBL20601416 0.90 ITGB1 (0.44) ITGB1ITGA4SLC8A1MMP13
SCHEMBL20601286 0.90 MMP13 (0.45) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20601285 0.90 MMP13 (0.45) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20618714 0.90 MMP13 (0.45) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL23111242 0.88 SLC8A1 (0.41) ITGB1ITGA4GPR119SLC8A1GRIN2B
SCHEMBL20601347 0.88 ITGB1 (0.41) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20601345 0.88 ITGB1 (0.41) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20601555 0.87 ITGB1 (0.42) ITGB1ITGA4GPR119SLC8A1MMP13

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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 — — US disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — 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 (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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 ITGB1 4380/4885ITGA4 4790/4885GPR119 41/4885

“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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