SCHEMBL1819458

SCHEMBL1819458

CC(C(=O)O)c1ccc(OS(=O)(=O)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
AKR1C3 P42330 9/20 0.49
AKR1C2 P52895 8/20 0.49
PTGS1 P23219 7/20 0.49
TSHR P16473 2/20 0.49
SLC22A6 Q4U2R8 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
CYP1A2 P05177 1/20 0.49
CXCR2 P25025 4/20 0.48
CXCR1 P25024 3/20 0.47
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL12129528 1.00 PTGS2 (0.49) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL2838485 0.84 CXCR2 (0.52) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1345445 0.83 CA2 (0.57) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1343632 0.83 CA2 (0.57) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL245190 0.81 CXCR2 (0.69) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1345636 0.81 CXCR2 (0.69) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1820095 0.81 CXCR2 (0.69) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1345327 0.79 ADAMTS4 (0.55) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1345199 0.79 ADAMTS4 (0.55) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL2835298 0.79 ADAMTS4 (0.55) PTGS2AKR1C3AKR1C2PTGS1TSHR

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-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US disclosed
EP-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP disclosed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO disclosed
EP-2316820-A1 2-aryl-propionamide derivatives useful as bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2011-05-04 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-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB2, BDKRB1, CNR2 PTGS2 66/4885AKR1C3 554/4885AKR1C2 796/4885

“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.