SCHEMBL18213808

SCHEMBL18213808

CC(C)(C)OCc1cc(OC(F)F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.36
▸ PTGER4 P35408 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ALKBH1 Q13686 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19240333 0.82 CHRM2 (0.46) GAAIDO1MTNR1BPOLBFFAR4
SCHEMBL18216618 0.82 P2RX7 (0.40) RORCPTGER4EPHX2MTNR1BMRGPRX4
SCHEMBL24587311 0.78 PPARG (0.40) PTGER4MTNR1BPPARGPPARAHTT
SCHEMBL18213802 0.76 HTR2C (0.43) RORCIDO1
SCHEMBL24587369 0.76 PPARG (0.40) MTNR1BPPARGPPARAHTT
SCHEMBL18213815 0.75 IDO1 (0.38) IDO1HTT
SCHEMBL18213830 0.75 MEN1 (0.46) RORCIDO1MRGPRX4HTTFFAR4
SCHEMBL18585144 0.75 MTNR1B (0.40) RORCKDM4EPTGER4GAAMTNR1B
SCHEMBL4680033 0.75 MRGPRX4 (0.40) PTGER4MTNR1BMRGPRX4PPARGPPARA
SCHEMBL12474356 0.75 PPARG (0.37) RORCKDM4EPTGER4GAARXRA

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 1/4885KDM4E 2720/4885PTGER4 1046/4885

“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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