SCHEMBL4181008

SCHEMBL4181008

C=Cc1cc(-c2c(-c3ccc(SC)cc3)cnn(-c3ccc(F)c(F)c3)c2=O)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4186893 0.85 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL4196897 0.78 PTGS2 (0.41) PTGS2PTGS1ALDH1A1
SCHEMBL4184539 0.77 MCHR1 (0.42) ALDH1A1KMT2ALMNA
SCHEMBL4188801 0.77 CYP17A1 (0.39) PTGS2MEN1ALDH1A1KMT2AMAPT
SCHEMBL4186179 0.76 PTGS2 (0.41) PTGS2PTGS1ALDH1A1
SCHEMBL4193742 0.75 RAB9A (0.42) PTGS2KDM4EMEN1ALDH1A1HTT
SCHEMBL4199448 0.73 ALDH1A1 (0.42) ALDH1A1KMT2ALMNA
SCHEMBL4188445 0.72 MCHR1 (0.36) ALDH1A1LMNA
SCHEMBL4185795 0.72 PTGS2 (0.38) PTGS2PTGS1ALDH1A1
SCHEMBL4191305 0.71 PTGS2 (0.59) PTGS2PTGS1MEN1ALDH1A1KMT2A

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
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 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 (4 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KDM4E 2515/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KDM4E 2385/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885PTGS1 2/4885KDM4E 2250/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KDM4E 2385/4885

“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.