SCHEMBL6001822

SCHEMBL6001822

NS(=O)(=O)c1ccc(NCC(O)CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.59
CA2 P00918 18/20 0.59
CA12 O43570 13/20 0.59
CA9 Q16790 12/20 0.59
KMT2A Q03164 1/20 0.47
CA7 P43166 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 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
SCHEMBL28827412 0.85 CA1 (0.41) CA1CA2CA12CA9KMT2A
SCHEMBL10880984 0.83 CA12 (0.44) CA1CA2CA12CA9KMT2A
SCHEMBL28201480 0.78 CA1 (0.61) CA1CA2CA12CA9KMT2A
SCHEMBL12332592 0.77 CA1 (0.75) CA1CA2CA12CA9CA7
SCHEMBL33651 0.77 MAPT (0.41) KMT2AALDH1A1HPGD
SCHEMBL27887792 0.76 CA1 (0.45) CA1CA2CA12CA9KMT2A
SCHEMBL28513477 0.75 CA2 (0.58) CA1CA2CA12CA9KMT2A
SCHEMBL27540686 0.75 CA2 (0.62) CA1CA2CA12CA9KMT2A
Sulfanilamide SCHEMBL27887793 0.75 CA2 (0.65) CA1CA2CA12CA9CA7
SCHEMBL27936984 0.74 CA2 (0.67) CA1CA2CA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS CA1 833/4885CA2 283/4885CA12 2513/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 CA1 2300/4885CA2 380/4885CA12 4169/4885

“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.