SCHEMBL4392393

SCHEMBL4392393

CCC(C(=O)O)c1cccc(CCOS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.42
AKR1C2 P52895 8/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42
POLB P06746 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 1/20 0.38
KDM4A O75164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
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
SCHEMBL4390456 0.79 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL4389616 0.78 NOS1 (0.45) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL2142430 0.77 CA1 (0.36) PPARGALDH1A1CA1CA2CA9
SCHEMBL289355 0.77 PPARA (0.50) AKR1C3AKR1C2AKR1C1PPARGKDM4A
SCHEMBL5968784 0.75 CYP4F2 (0.43) AKR1C3AKR1C2PTGS1ALDH1A1CA1
SCHEMBL2891180 0.75 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL1666938 0.75 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL15042385 0.74 CA2 (0.43) ALOX5ALDH1A1CA1CA2CA9
SCHEMBL21609292 0.74 PTGS1 (0.49) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL31477054 0.74 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 AKR1C3 60/4885AKR1C2 94/4885AKR1C1 112/4885

“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.