SCHEMBL16886404

SCHEMBL16886404

O=S(=O)(c1ccccc1)C1(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 1.00
NR1I2 O75469 3/20 0.81
NR1H3 Q13133 1/20 0.81

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
SCHEMBL16888487 0.93 RORC (0.86) RORCNR1I2NR1H3
SCHEMBL16875431 0.89 RORC (1.00) RORCNR1I2NR1H3
SCHEMBL16875432 0.89 RORC (1.00) RORCNR1I2NR1H3
SCHEMBL16875508 0.89 RORC (1.00) RORCNR1I2NR1H3
Hydrochloric Acid SCHEMBL16875317 0.88 RORC (0.98) RORCNR1I2NR1H3
Hydrochloric Acid SCHEMBL16875449 0.88 RORC (0.98) RORCNR1I2NR1H3
Hydrochloric Acid SCHEMBL16875584 0.88 RORC (0.98) RORCNR1I2NR1H3
SCHEMBL16891685 0.84 RORC (1.00) RORCNR1I2
SCHEMBL16875493 0.83 RORC (0.77) RORCNR1I2NR1H3
SCHEMBL16875415 0.83 RORC (0.77) RORCNR1I2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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 (2 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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA RORC 1/4885NR1I2 7/4885NR1H3 14/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA RORC 1/4885NR1I2 8/4885NR1H3 13/4885

“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.