SCHEMBL20601444

SCHEMBL20601444

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 8/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ SLC8A1 P32418 2/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ MMP13 P45452 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL20601446 1.00 KCNK3 (0.41) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL20601420 0.90 ITGB1 (0.44) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL23087975 0.90 SLC8A1 (0.41) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL20601416 0.90 ITGB1 (0.44) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL23088008 0.90 ITGB1 (0.41) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL23088006 0.90 ITGB1 (0.41) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL23087976 0.90 SLC8A1 (0.41) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL20601388 0.90 SLC8A1 (0.42) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL20601383 0.90 SLC8A1 (0.42) KCNK3ITGB1ITGA4SLC8A1ITGB3
SCHEMBL23087984 0.89 MMP13 (0.48) KCNK3ITGB1ITGA4MMP13P2RX3

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 KCNK3 3113/4885ITGB1 4380/4885ITGA4 4790/4885

“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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