SCHEMBL7525288

SCHEMBL7525288

CC(C)C(I)(Oc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2cccc(Cl)c2)c1=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.48
NPBWR1 P48145 3/20 0.42
MCHR1 Q99705 3/20 0.42
PTGS1 P23219 5/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4186894 0.88 PTGS2 (0.52) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4187506 0.85 PTGS2 (0.61) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4174669 0.84 PTGS2 (0.55) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4186850 0.84 PTGS2 (0.52) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4191568 0.83 PTGS2 (0.49) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4191532 0.82 PTGS2 (0.59) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4188626 0.81 PTGS2 (0.48) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4195918 0.81 PTGS2 (0.49) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4183850 0.81 PTGS2 (0.46) PTGS2NPBWR1MCHR1PTGS1NPC1
SCHEMBL4180166 0.81 PTGS2 (0.56) PTGS2NPBWR1MCHR1PTGS1NPC1

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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885NPBWR1 1997/4885MCHR1 4356/4885

“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.