SCHEMBL1870487

SCHEMBL1870487

NS(=O)(=O)c1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.69
CA9 Q16790 14/20 0.69
CA1 P00915 14/20 0.69
CA12 O43570 11/20 0.69
CA14 Q9ULX7 6/20 0.69
CA3 P07451 1/20 0.59
CA6 P23280 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 1/20 0.51

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
SCHEMBL1926937 0.84 CA2 (0.67) CA2CA9CA1CA12CA14
SCHEMBL28032548 0.84 CA2 (0.73) CA2CA9CA1CA12CA14
SCHEMBL29374737 0.83 CAMKK2 (0.59) CA2CA9CA1CA12CA14
SCHEMBL2342732 0.83 CAMKK2 (0.59) CA2CA9CA1CA12CA14
SCHEMBL1874815 0.82 CA2 (1.00) CA2CA9CA1CA12CA14
SCHEMBL23226834 0.81 CA12 (0.74) CA2CA9CA1CA12CA14
SCHEMBL4132126 0.81 NPC1 (0.54) TRIM24TRIM33RXRARXRBRXRG
SCHEMBL31670545 0.80 CA1 (0.67) CA2CA9CA1CA12CA14
SCHEMBL67270 0.80 CA1 (0.67) CA2CA9CA1CA12CA14
SCHEMBL30066684 0.80 KMO (0.72) TRIM24TRIM33RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 US disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 US disclosed
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 US disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 WO 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 (2 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-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 CA2 1410/4885CA9 1116/4885CA1 1496/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 CA2 1410/4885CA9 1116/4885CA1 1496/4885

“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.