SCHEMBL20601555

SCHEMBL20601555

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.38
▸ SLC8A1 P32418 2/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ITGB5 P18084 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KCNK3 O14649 5/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL20601558 1.00 ITGB1 (0.42) ITGB1ITGA4GPR119SLC8A1ITGB3
SCHEMBL20601345 0.91 ITGB1 (0.41) ITGB1ITGA4GPR119SLC8A1ITGB3
SCHEMBL20601347 0.91 ITGB1 (0.41) ITGB1ITGA4GPR119SLC8A1ITGB3
SCHEMBL20601416 0.90 ITGB1 (0.44) ITGB1ITGA4SLC8A1ITGB3ITGAV
SCHEMBL20601420 0.90 ITGB1 (0.44) ITGB1ITGA4SLC8A1ITGB3ITGAV
SCHEMBL20601285 0.90 MMP13 (0.45) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20601286 0.90 MMP13 (0.45) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20618714 0.90 MMP13 (0.45) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL20618507 0.87 ITGB1 (0.40) ITGB1ITGA4GPR119SLC8A1MMP13
SCHEMBL28355162 0.87 ITGB1 (0.40) 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 6 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
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 — — US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 — — EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 — — CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — WO 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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