SCHEMBL18213822

SCHEMBL18213822

CC(C)(C)OCc1cc(F)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.43
PGR P06401 2/20 0.38
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 5/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MPO P05164 1/20 0.35
IDH1 O75874 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL18213800 0.87 RORC (0.43) RORCPGRNR3C1NR3C2AR
SCHEMBL16886253 0.84 RORC (0.44) RORCPGRNR3C1NR3C2AR
SCHEMBL18213832 0.82 AR (0.41) AR
SCHEMBL552171 0.81 TDP1 (0.42) RORCPGRNR3C1NR3C2AR
SCHEMBL3751942 0.79 KDM4E (0.43) RORCPGRNR3C1NR3C2AR
SCHEMBL18213802 0.78 HTR2C (0.43) RORCHTR2AHTR2C
SCHEMBL20817916 0.77 MPO (0.38) RORCPGRNR3C1NR3C2AR
SCHEMBL3748708 0.76 AR (0.42) RORCPGRNR3C1NR3C2AR
SCHEMBL18213796 0.76 ALDH1A1 (0.43) FFAR1MAOB
SCHEMBL2591940 0.75 SLC22A12 (0.43) PGRARFFAR1FFAR4MAOA

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 3 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-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 RORC 1/4885PGR 2863/4885NR3C1 20/4885

“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.