SCHEMBL6404955

SCHEMBL6404955

O=C(O)[C@H]1Cc2c(cc(Cl)c(Cl)c2Cl)O[C@H]1C(F)(F)CF

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
AKR1B1 P15121 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6406952 0.87 PTGS2 (0.43) PTGS1PTGS2LMNAMAPT
SCHEMBL6407339 0.87 PTGS2 (0.43) PTGS1PTGS2LMNAMAPT
SCHEMBL6404963 0.81 PTGS1 (0.38) PTGS1PTGS2
SCHEMBL6404958 0.72 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL6404569 0.72 PTGS2 (0.43) PTGS1PTGS2AKR1B1LMNAMAPT
SCHEMBL6405275 0.72 PTGS2 (0.43) PTGS1PTGS2AKR1B1LMNAMAPT
SCHEMBL6409687 0.72 PTGS2 (0.43) PTGS1PTGS2AKR1B1
SCHEMBL6405761 0.72 PTGS2 (0.43) PTGS1PTGS2AKR1B1
SCHEMBL6680241 0.72 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL6407729 0.69 PTGS2 (0.42) PTGS1PTGS2

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGS1 5/4885PTGS2 1/4885AKR1B1 102/4885

“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.