SCHEMBL18213801

SCHEMBL18213801

Cc1ccc(COC(C)(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.43
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL12016053 0.79 IDO1 (0.42) IDO1KDM4AKDM5AKDM2BKDM4C
SCHEMBL18213791 0.78 RORC (0.40) IDO1KDM5AKDM4CKDM5BKDM4E
SCHEMBL25394603 0.77 IDO1 (0.66) IDO1KDM4AKDM5AKDM2BKDM4C
SCHEMBL29364455 0.76 IDO1 (0.35) IDO1MAPTSMN1; SMN2SLC6A4KCNH2
SCHEMBL13603792 0.75 IDO1 (0.55) IDO1MAPTHTTSLC6A4NR4A2
SCHEMBL803376 0.75 GGPS1 (0.37) IDO1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL12960527 0.74 IDO1 (0.43) IDO1KDM4AKDM5AKDM2BKDM4C
SCHEMBL18213815 0.74 IDO1 (0.38) IDO1MAPTHTTLMNAHTR2A
SCHEMBL13932525 0.73 AMY1A (0.42) IDO1MAPTHTTLMNASMN1; SMN2
SCHEMBL2355598 0.73 TAAR1 (0.40) IDO1MAPTLMNARAB9AATM

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-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US 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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA IDO1 879/4885KDM4A 2920/4885KDM5A 2938/4885

“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.