SCHEMBL605185

SCHEMBL605185

CCOC(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL2206945 0.93 SMN1; SMN2 (0.46) USP2SMN1; SMN2TSHRALOX15KDM4E
SCHEMBL24940829 0.92 USP2 (0.38) USP2SMN1; SMN2TSHRALOX15KDM4E
SCHEMBL7847096 0.88 TSHR (0.47) SMN1; SMN2TSHRKDM4EL3MBTL1ATM
SCHEMBL25737087 0.87 USP2 (0.42) USP2SMN1; SMN2TSHRALOX15KDM4E
SCHEMBL15958599 0.87 USP2 (0.42) USP2SMN1; SMN2TSHRALOX15KDM4E
SCHEMBL24940831 0.87 USP2 (0.41) USP2SMN1; SMN2TSHRALOX15L3MBTL1
SCHEMBL425879 0.85 USP2 (0.38) USP2SMN1; SMN2TSHRKDM4EPKM
SCHEMBL2815082 0.85 USP2 (0.40) USP2SMN1; SMN2TSHRALOX15L3MBTL1
SCHEMBL17113616 0.85 SMN1; SMN2 (0.43) USP2SMN1; SMN2TSHRALOX15L3MBTL1
SCHEMBL6992779 0.84 USP2 (0.42) USP2SMN1; SMN2TSHRALOX15L3MBTL1

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 19 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-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-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
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP disclosed
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
WO-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 WO disclosed
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
EP-2305660-A1 New thiadiazole derivatives Almirall, S.A. (ES) 2011-04-06 EP disclosed
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 WO disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
CN-101784535-A Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET SOC CIV 2010-07-21 CN disclosed
EP-2170850-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-04-07 EP disclosed
EP-2014653-A1 Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2009-01-14 EP disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 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 (4 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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 USP2 4772/4885SMN1; SMN2 3251/4885TSHR 1358/4885
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR2, S1PR5 USP2 4600/4885SMN1; SMN2 3276/4885TSHR 1549/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA USP2 3493/4885SMN1; SMN2 1758/4885TSHR 503/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA USP2 3646/4885SMN1; SMN2 1871/4885TSHR 538/4885

“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.