SCHEMBL6628635

SCHEMBL6628635

CCOc1ccc(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
STAT6 P42226 1/20 0.49
KCNH2 Q12809 1/20 0.49
PTPN1 P18031 3/20 0.48
PTPN2 P17706 2/20 0.48
PTPN6 P29350 2/20 0.48
PTPN11 Q06124 2/20 0.48
PTPRF P10586 1/20 0.48
BLM P54132 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL6628554 0.89 S1PR3 (0.49) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL29017032 0.88 HTT (0.52) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3999766 0.88 LMNA (0.46) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6630509 0.87 S1PR3 (0.54) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6990976 0.87 SMN1; SMN2 (0.53) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6629256 0.86 LMNA (0.47) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL2574654 0.85 S1PR3 (0.57) HTTALDH1A1LMNATSHRADRA2A
SCHEMBL6630760 0.85 SLC6A9 (0.49) ALDH1A1SMN1; SMN2LMNATSHRADRA2A
SCHEMBL3220624 0.84 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2LMNATSHRADRA2A
SCHEMBL1546613 0.84 LMNA (0.46) HTTSMN1; SMN2LMNATSHRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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 (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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A HTT 4418/4885ALDH1A1 621/4885SMN1; SMN2 2159/4885

“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.