SCHEMBL20601388

SCHEMBL20601388

CCc1ccc(C(=O)NC(CC2CCN(C(=O)O)CC2)c2ccc(OC)nc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC8A1 P32418 2/20 0.42
▸ KCNK3 O14649 8/20 0.42
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ SMYD3 Q9H7B4 2/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35

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
SCHEMBL20601383 1.00 SLC8A1 (0.42) SLC8A1KCNK3ITGB1ITGA4SMYD3
SCHEMBL20601444 0.90 KCNK3 (0.41) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL20601446 0.90 KCNK3 (0.41) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL20618501 0.90 MMP13 (0.47) SLC8A1KCNK3ITGB1ITGA4NPC1
SCHEMBL23088008 0.89 ITGB1 (0.41) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL23087976 0.89 SLC8A1 (0.41) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL23088006 0.89 ITGB1 (0.41) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL23087975 0.89 SLC8A1 (0.41) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL20601420 0.89 ITGB1 (0.44) SLC8A1KCNK3ITGB1ITGA4ITGB3
SCHEMBL20601416 0.89 ITGB1 (0.44) SLC8A1KCNK3ITGB1ITGA4ITGB3

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 4 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
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

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 SLC8A1 3186/4885KCNK3 3113/4885ITGB1 4380/4885

“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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