SCHEMBL20601291

SCHEMBL20601291

CC(C)CC(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(F)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GPR119 Q8TDV5 11/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACKR3 P25106 1/20 0.40
DPP4 P27487 1/20 0.40
TRPV3 Q8NET8 1/20 0.40

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
SCHEMBL20601284 0.90 KDM4E (0.45) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601205 0.89 KDM4E (0.44) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601373 0.89 KDM4E (0.46) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601313 0.88 KDM4E (0.43) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601332 0.85 KDM4E (0.44) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601418 0.84 KDM4E (0.43) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL23088094 0.84 KDM4E (0.51) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601335 0.83 KDM4E (0.50) KDM4EPKMMEN1KMT2AGPR119
SCHEMBL20601449 0.80 KDM4E (0.51) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL20601554 0.80 KDM4E (0.51) KDM4EPKMALDH1A1MAPTMAPK1

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 892/4885ALDH1A1 816/4885

“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.