SCHEMBL5113321

SCHEMBL5113321

COC(=O)C1(C=O)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2547049 0.85
SCHEMBL16837824 0.82 CYP3A4 (0.39) CYP3A4CYP2C9PKMCYP2C19RECQL
SCHEMBL1971946 0.81 NPSR1 (0.42) CYP3A4NPSR1LMNAALDH1A1
SCHEMBL4864227 0.81 NPSR1 (0.47) CYP3A4NPSR1LMNAALDH1A1
SCHEMBL2305290 0.79 NPSR1 (0.45) CYP3A4NPSR1LMNAALDH1A1
SCHEMBL4872719 0.79 NPSR1 (0.45) CYP3A4NPSR1LMNAALDH1A1
SCHEMBL4866927 0.78 NPSR1 (0.35) CYP3A4NPSR1LMNA
SCHEMBL31711898 0.76 NPSR1 (0.34) NPSR1LMNA
SCHEMBL4863377 0.74 NPSR1 (0.33) NPSR1LMNA
SCHEMBL4863381 0.74 NPSR1 (0.33) NPSR1LMNA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102383-A1 LPAR1 Inhibitors ABBVIE INC (US) 2026-04-16 US disclosed
WO-2025226510-A1 LPAR1 INHIBITORS ABBVIE INC. (US) 2025-10-30 WO disclosed
EP-4640274-A1 LPAR1 INHIBITORS AbbVie Inc. (US) 2025-10-29 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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-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-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
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 WO disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO 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 (5 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-20260102383-A1 LPAR1 Inhibitors LPAR1, LPAR6, LPAR2 CYP3A4 4385/4885CYP2C9 3881/4885PKM 3802/4885
US-20140088124-A1 IMIDAZOLE DERIVATIVES DGAT1, DGAT2, SOAT1 CYP3A4 2220/4885CYP2C9 2703/4885PKM 2576/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA CYP3A4 387/4885CYP2C9 450/4885PKM 1483/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA CYP3A4 544/4885CYP2C9 479/4885PKM 1888/4885
US-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 CYP3A4 142/4885CYP2C9 273/4885PKM 1982/4885

“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.