SCHEMBL24334889

SCHEMBL24334889

Cc1cnc(CNc2nc(F)cc(-c3ccc(S(C)(=O)=O)cc3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.52
▸ PTGS1 P23219 6/20 0.52
▸ VCP P55072 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL24335037 0.84 IKBKB (0.44) PTGS2PTGS1ATRLOXL2
SCHEMBL24335191 0.83 PTGS2 (0.59) PTGS2PTGS1VCP
SCHEMBL24334957 0.82 PTGS2 (0.59) PTGS2PTGS1VCP
SCHEMBL22828104 0.78 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL24334941 0.76 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL24334904 0.74 PTGS2 (0.62) PTGS2
SCHEMBL22828091 0.69 PTGS2 (0.57) PTGS2PTGS1VCP
SCHEMBL5787610 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL24335036 0.66 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5791089 0.65 PTGS2 (0.66) 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-20220106275-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-04-07 — — 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-20220106275-A1 RADIOLABELED COMPOUNDS AND USES THEREOF PAICS, TMEM14C, SLCO1B1 PTGS2 4365/4885PTGS1 3758/4885VCP 2797/4885

“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.

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