SCHEMBL7016584

SCHEMBL7016584

CN(CCCSc1ccc2cc(Cl)ccc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
RAB9A P51151 1/20 0.39
AHCY P23526 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
PDK2 Q15119 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
IDO1 P14902 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CNR2 P34972 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7017238 0.85 SLC6A4 (0.38) RAB9AAHCYKDM4EMAPK1GAA
SCHEMBL7015925 0.83 RAB9A (0.47) FDPSRAB9AKDM4EMAPK1GAA
SCHEMBL29647894 0.78 ALDH1A1 (0.39) FDPSKDM4EPDK2HTR2CSLC6A4
SCHEMBL24591933 0.78 ALDH1A1 (0.39) FDPSKDM4EPDK2HTR2CSLC6A4
SCHEMBL7015918 0.78 IDO1 (0.54) KDM4EMAPK1IDO1CNR2HPGD
SCHEMBL7017122 0.77 F10 (0.50) THRB
SCHEMBL7014739 0.77 F10 (0.52)
SCHEMBL7019304 0.77 IDO1 (0.53) KDM4EMAPK1IDO1CNR2HPGD
SCHEMBL26830762 0.75 ALDH1A1 (0.45) FDPSKDM4EPDK2THRBHTR2C
SCHEMBL7106156 0.75 RAB9A (0.49) FDPSRAB9AKDM4EMAPK1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH FDPS 2278/4885RAB9A 1515/4885AHCY 1088/4885

“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.