SCHEMBL6629678

SCHEMBL6629678

CCCOc1ccc(S(=O)(=O)CC)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.65
PTPN11 Q06124 5/20 0.48
WDR5 P61964 2/20 0.46
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
FABP4 P15090 1/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL4600819 0.89 PTPN11 (0.60) S1PR3PTPN11WDR5PTPN1PTPN6
SCHEMBL6630953 0.88 S1PR3 (0.65) S1PR3PTPN11WDR5PTPN1PTPN6
SCHEMBL29017033 0.88 S1PR3 (0.57) S1PR3WDR5PTGDR2MAPK1
SCHEMBL6334612 0.87 S1PR3 (0.64) S1PR3PTPN11WDR5PTPN1PTPN6
SCHEMBL6629138 0.85 S1PR3 (0.61) S1PR3PTPN11WDR5PTPN1PTPN6
SCHEMBL8544664 0.83 MAPK1 (0.56) S1PR3MAPK1
SCHEMBL4602917 0.81 PTPN11 (0.57) S1PR3PTPN11WDR5PTPN1PTPN6
SCHEMBL4130038 0.81 S1PR3 (0.71) S1PR3PTPN11WDR5PTPN1PTPN6
SCHEMBL16651134 0.80 CA12 (0.46) S1PR3
SCHEMBL4125056 0.80 S1PR3 (0.78) S1PR3PTPN11WDR5PTPN1PTPN6

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 S1PR3 605/4885PTPN11 1967/4885WDR5 2744/4885

“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.