SCHEMBL1662558

SCHEMBL1662558

CS(=O)(=O)OCc1cccc(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLS O94925 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
NR4A2 P43354 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL1573205 0.87 TSHR (0.45) ALDH1A1FFAR1TSHRMAPK1TDP1
SCHEMBL1662777 0.85 KDM4E (0.44) ALDH1A1FFAR1DRD2DRD4DRD3
SCHEMBL5067887 0.83 CHRM2 (0.47) FFAR1TSHRSMN1; SMN2MRGPRX4MAOB
SCHEMBL15923314 0.83 GGPS1 (0.54) TSHR
SCHEMBL15924325 0.83 GGPS1 (0.54) TSHR
SCHEMBL2617478 0.82 MAOB (0.57) CYP4F2CYP4A11FFAR1SMN1; SMN2NR4A2
SCHEMBL16097270 0.81 FFAR1 (0.46) FFAR1MRGPRX4MAOB
SCHEMBL5636631 0.80 IDO1 (0.59) MAOB
SCHEMBL3593702 0.80 IDO1 (0.46) ALDH1A1DRD2DRD3MAOBCA1
SCHEMBL4314734 0.80 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1RECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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 (1 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 CYP4F2 1917/4885CYP4A11 1734/4885ALDH1A1 2233/4885

“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.