SCHEMBL4853590

SCHEMBL4853590

NS(=O)(=O)c1ccc(-c2ccc(OCC(O)CCc3cccnc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.50
CA1 P00915 14/20 0.50
CA9 Q16790 14/20 0.50
CA7 P43166 11/20 0.50
CA4 P22748 9/20 0.50
CA12 O43570 6/20 0.49
ADAMTS4 O75173 1/20 0.46
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
NAMPT P43490 1/20 0.43
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7771595 1.00 CA2 (0.50) CA2CA1CA9CA7CA4
SCHEMBL7774542 0.91 CA2 (0.43) CA2CA1CA9CA7CA4
SCHEMBL7772401 0.89 MEN1 (0.40) CA2CA1CA9CA7CA4
SCHEMBL7771601 0.88 ADRB2 (0.41) CA2CA1CA9CA7CA4
SCHEMBL7771600 0.88 ADRB2 (0.41) CA2CA1CA9CA7CA4
SCHEMBL7771953 0.87 CA2 (0.44) CA2CA1CA9CA7CA4
SCHEMBL7771955 0.87 CA2 (0.44) CA2CA1CA9CA7CA4
Hydrochloric Acid SCHEMBL7772036 0.86 CA2 (0.44) CA2CA1CA9CA7CA4
Hydrochloric Acid SCHEMBL7772032 0.86 CA2 (0.44) CA2CA1CA9CA7CA4
SCHEMBL7769942 0.86 MEN1 (0.39) CA2CA1CA9CA7CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115706-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP claimed
WO-2000018730-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
US-7329401-B2 Cyclooxygenase-2 selective agents useful as imaging probes and related methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-12 US disclosed
US-20070286801-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-13 US disclosed
WO-2003089013-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-10-30 WO disclosed
EP-1115706-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018730-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 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 (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-20070286801-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS PTGS2, PTGES2, PTGER2 CA2 508/4885CA1 2417/4885CA9 1812/4885

“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.