SCHEMBL2587295

SCHEMBL2587295

CS(=O)(=O)OCC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
FABP6 P51161 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1991577 0.83 SMN1; SMN2 (0.41) TSHRKMT2AMEN1TP53
SCHEMBL13186413 0.79 GAA (0.46) CYP4F2CYP4A11GAATSHRALDH1A1
SCHEMBL12768 0.79 GAA (0.46) CYP4F2CYP4A11GAATSHRALDH1A1
SCHEMBL13198913 0.79 GAA (0.46) CYP4F2CYP4A11GAATSHRALDH1A1
SCHEMBL436002 0.79 TP53 (0.44) CYP4F2CYP4A11TSHRALDH1A1ATM
SCHEMBL954911 0.77 TSHR (0.44) CYP4F2CYP4A11GAATSHRALDH1A1
SCHEMBL772100 0.77 TSHR (0.44) CYP4F2CYP4A11GAATSHRALDH1A1
SCHEMBL28364104 0.77 CYP2C19 (0.54) CYP4F2CYP4A11GAATSHRALDH1A1
SCHEMBL3261975 0.76 ALDH1A1 (0.38) GAAALDH1A1ATM
SCHEMBL3596666 0.76 ALDH1A1 (0.38) GAAALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 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 (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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A CYP4F2 486/4885CYP4A11 318/4885GAA 3565/4885
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 CYP4F2 2534/4885CYP4A11 1479/4885GAA 4001/4885

“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.