SCHEMBL16875239

SCHEMBL16875239

C=CC1(O)CCC(C(=O)OCC)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16875486 0.85 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL9985464 0.81 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251805 0.79 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251803 0.79 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16841463 0.79 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21061853 0.77 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16089711 0.77 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL9958117 0.77 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1935368 0.77 HRH3 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL21743066 0.76 MAPT (0.46) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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 14 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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
EP-3092229-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2016-11-16 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-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
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US 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
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO 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

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 MAPT 385/4885ALDH1A1 1327/4885CYP3A4 387/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA MAPT 314/4885ALDH1A1 1269/4885CYP3A4 544/4885

“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.