SCHEMBL20601477

SCHEMBL20601477

CC(C)c1ccc(C(=O)NC(CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 3/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
GPR119 Q8TDV5 2/20 0.46
YAP1 P46937 3/20 0.45
KMT2A Q03164 1/20 0.45
LIMK2 P53671 1/20 0.45
STS P08842 1/20 0.43
TGFBR1 P36897 1/20 0.42
NR3C1 P04150 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
SCHEMBL20601233 0.93 KDM4E (0.66) KDM4EPKMMAPK1NPC1ALDH1A1
SCHEMBL20601318 0.92 KDM4E (0.58) KDM4EPKMHTTITGB3ITGA2B
SCHEMBL20601409 0.92 KDM4E (0.58) KDM4EPKMHTTITGB3ITGA2B
SCHEMBL20601315 0.92 KDM4E (0.58) KDM4EPKMHTTITGB3ITGA2B
SCHEMBL20601482 0.91 KDM4E (0.59) KDM4EPKMITGB3ITGA2BGPR119
SCHEMBL20601549 0.91 KDM4E (0.59) KDM4EPKMMAPK1ITGB3ITGA2B
SCHEMBL20601480 0.90 KDM4E (0.58) KDM4EPKMNPC1ITGB3ITGA2B
SCHEMBL20618718 0.90 KDM4E (0.58) KDM4EPKMMAPK1ITGB3ITGA2B
SCHEMBL20601384 0.90 KDM4E (0.58) KDM4EPKMMAPK1ALDH1A1ITGB3
SCHEMBL20601321 0.90 KDM4E (0.57) KDM4EPKMALDH1A1MAPTITGB3

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 KDM4E 657/4885PKM 892/4885MAPK1 2307/4885

“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.