SCHEMBL20601561

SCHEMBL20601561

O=C(NC(CC1CCN(C(=O)Oc2ccccc2)CC1)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.47
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ MGLL Q99685 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CCR1 P32246 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL20601256 0.90 GAA (0.52) ITGB3ITGA2BGAAMGLLCCR1
SCHEMBL20601329 0.90 MAPK1 (0.51) ITGB3ITGA2BGAAF2F10
SCHEMBL20601214 0.88 TSHR (0.51) ITGB3ITGA2BGAAF2F10
SCHEMBL20601480 0.86 KDM4E (0.58) ITGB3ITGA2BNPC1
SCHEMBL20618750 0.82 ITGB3 (0.50) ITGB3ITGA2BGAAF2F10
SCHEMBL20615649 0.81 KDM4E (0.60) ALOX15GAAF2PRSS1NPC1
SCHEMBL20618541 0.81 ITGB3 (0.53) ITGB3ITGA2BGAAF2F10
SCHEMBL20601327 0.80 GAA (0.46) ITGB3ITGA2BGAAMGLLNPC1
SCHEMBL20600921 0.80 ALOX15 (0.52) ALOX15GAAMGLLNPC1RAB9A
SCHEMBL20601521 0.80 KDM4E (0.52) ITGB3ITGA2BGAAF2PRSS1

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 ALOX15 338/4885ITGB3 4503/4885ITGA2B 4280/4885

“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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