SCHEMBL4507253

SCHEMBL4507253

CC(C)(C)OC(=O)N1CCC(CNC(N)=S)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
PKM P14618 1/20 0.60
EPHX1 P07099 1/20 0.47
TGFBR1 P36897 5/20 0.47
HPGD P15428 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL3632843 0.89 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL4514614 0.85 KDM4E (0.59) KDM4EPKMEPHX1TGFBR1HPGD
Hydrochloric Acid SCHEMBL538295 0.85 KDM4E (0.59) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL3098100 0.84 KDM4E (0.62) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL24853346 0.84 KDM4E (0.64) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL6152939 0.84 KDM4E (0.68) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL1245476 0.84 KDM4E (0.64) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL5573225 0.84 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL3050761 0.83 KDM4E (0.60) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL21551407 0.83 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1HPGD

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
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
WO-2001064675-A1 CONDENSED THIAZOLAMINES AND THEIR USE AS NEUROPEPTIDE Y5 ANTAGONISTS NOVARTIS AG (CH) 2001-09-07 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 KDM4E 3395/4885PKM 3885/4885EPHX1 1443/4885

“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.