SCHEMBL1757785

SCHEMBL1757785

CC#Cc1cc(S(C)(=O)=O)cc(Cl)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
GLP1R P43220 1/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
USP28 Q96RU2 1/20 0.32

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
SCHEMBL836469 0.83 CA1 (0.40) CA1CA2CA9POLBAPEX1
SCHEMBL1757703 0.80 CA1 (0.39) CA1CA2CA9PTGDR2CA12
SCHEMBL1449764 0.80 CA1 (0.64) CA1CA2CA9POLBAPEX1
SCHEMBL11674800 0.74 APEX1 (0.57) CA1CA2CA9POLBAPEX1
SCHEMBL9847414 0.74 APEX1 (0.52) CA1CA2CA9POLBAPEX1
SCHEMBL838177 0.72 CA1 (0.70) CA1CA2CA9POLBAPEX1
SCHEMBL11022569 0.72 CA1 (0.72) CA1CA2CA9POLBAPEX1
SCHEMBL2517260 0.68 LMNA (0.60) CA1CA2CA9POLBAPEX1
SCHEMBL11203275 0.67 EPAS1 (0.38) POLBALDH1A1CYP3A4LMNAPTGS2
SCHEMBL18780678 0.67 G6PD (0.47) CA1CA2CA9APEX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 CA1 3343/4885CA2 3029/4885CA9 3952/4885

“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.