SCHEMBL18216618

SCHEMBL18216618

COCc1cc(OC(F)F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.40
▸ RORC P51449 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ PTGER4 P35408 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL24587311 0.82 PPARG (0.40) MTNR1BPTGER4CHRM2CHRM1CHRM3
SCHEMBL18213808 0.82 RORC (0.43) RORCMTNR1BPTGER4MRGPRX4PPARG
SCHEMBL12093575 0.82 CHRM2 (0.50) MTNR1BCHRM2CHRM1CHRM3FFAR4
SCHEMBL24587369 0.79 PPARG (0.40) MTNR1BCHRM2CHRM1CHRM3PPARG
SCHEMBL20256607 0.79 SLC6A4 (0.38) RORCMTNR1BMRGPRX4PPARGPPARA
SCHEMBL4680033 0.79 MRGPRX4 (0.40) MTNR1BPTGER4MRGPRX4PPARGPPARA
SCHEMBL12474356 0.79 PPARG (0.37) RORCMTNR1BPTGER4MRGPRX4PPARG
SCHEMBL18585144 0.79 MTNR1B (0.40) RORCMTNR1BPTGER4MRGPRX4PPARG
SCHEMBL12474349 0.78 CHRM2 (0.35) RORCMTNR1BPTGER4CHRM2CHRM1
SCHEMBL12016019 0.74 IDO1 (0.44) —

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 P2RX7 1064/4885RORC 1/4885MTNR1B 156/4885

“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.

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