SCHEMBL7584633

SCHEMBL7584633

CC(C)CCOc1c(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cnn(C(C)(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 3/20 0.38
CA9 Q16790 3/20 0.38
LIMK2 P53671 5/20 0.37
EDNRA P25101 2/20 0.36
ADORA2B P29275 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.36
PKM P14618 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4196646 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL4187687 0.84 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL7515621 0.78 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA4
SCHEMBL4184394 0.71 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL4192089 0.69 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4191980 0.69 SMN1; SMN2 (0.38) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL8253659 0.67 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL4190448 0.67 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL4183024 0.66 PTGS2 (0.48) PTGS2PTGS1NPC1
SCHEMBL4194536 0.66 PTGS2 (0.40) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 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-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885CA1 4781/4885

“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.