SCHEMBL2935549

SCHEMBL2935549

O=S(=O)(O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 1/20 0.45
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PMP22 Q01453 2/20 0.41
HSD11B1 P28845 1/20 0.41
GMNN O75496 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 1/20 0.41
GABBR2 O75899 1/20 0.40

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
SCHEMBL1859129 0.84 GABBR2 (0.52) SRCALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL2488308 0.82 LMNA (0.50) SRCALDH1A1CYP2C19SMN1; SMN2LMNA
SCHEMBL7875002 0.82 LMNA (0.50) SRCALDH1A1CYP2C19SMN1; SMN2LMNA
SCHEMBL5217546 0.80 TAAR1 (0.48) SRCALDH1A1CYP2C19TAAR1LMNA
SCHEMBL5146431 0.80 SRC (0.44) SRCALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL5217923 0.80 TAAR1 (0.48) SRCALDH1A1CYP2C19TAAR1LMNA
SCHEMBL1003234 0.80 SRC (0.53) SRCALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL2486785 0.80 GBA1 (0.49) SRCALDH1A1CYP2C19GBA1
SCHEMBL5217555 0.80 TAAR1 (0.48) SRCALDH1A1CYP2C19TAAR1LMNA
SCHEMBL10638198 0.80 LMNA (0.48) SRCALDH1A1CYP2C19SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087754-B Cyclohexane derivatives HOFFMANN LA ROCHE 2012-01-18 CN claimed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US claimed
US-7569562-B2 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2009-08-04 US claimed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US claimed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
CN-101087754-A Novel cyclohexane derivatives HOFFMANN LA ROCHE (CH) 2007-12-12 CN claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO claimed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP claimed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US claimed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 WO claimed
CN-105051034-B azetidinyloxyphenylpyrrolidine compounds 伊莱利利公司 2019-05-21 CN disclosed
CN-109336865-A Azetidinyl phenyl pyrrolidine compound 伊莱利利公司 2019-02-15 CN disclosed
CN-107001327-A [(the 3S of crystal (2S) 3,4S) the base of 3 [(1R) 1 ethoxy] 4 (4 methoxyl group 3 { [base of 1 (base of 5 picoline 2) azetidin 3] epoxide } phenyl) 3 crassitude 1] 3 oxopropan, 1,2 glycol 伊莱利利公司 2017-08-01 CN disclosed
CN-106795137-A Azetidinyl phenyl pyrrolidine compound 伊莱利利公司 2017-05-31 CN disclosed
CN-101087754-B Cyclohexane derivatives HOFFMANN LA ROCHE 2012-01-18 CN disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP disclosed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
US-4007155-A SULFONATE GENERAL ELECTRIC COMPANY (US) 1977-02-08 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC SRC 98/4885ALDH1A1 2621/4885CYP2C19 3273/4885
US-20060270657-A1 N-substituted heterocyclic sulfonamides SULT2A1, PSEN1, PSEN2 SRC 3461/4885ALDH1A1 427/4885CYP2C19 386/4885

“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.