SCHEMBL22807038

SCHEMBL22807038

CS(=O)(=O)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.60
▸ S1PR1 P21453 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGS1 P23219 1/20 0.44

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
SCHEMBL3997004 0.85 PTGS2 (0.50) PTGS2S1PR1PTGS1
SCHEMBL22828096 0.77 PTGS2 (1.00) PTGS2
SCHEMBL3451851 0.77 PTGS2 (0.65) PTGS2MEN1MAPTKMT2AMCOLN3
SCHEMBL3152021 0.76 PTGS2 (0.48) PTGS2MEN1KMT2APTGS1
SCHEMBL4411696 0.75 S1PR1 (0.52) PTGS2S1PR1MEN1KMT2ALMNA
SCHEMBL123239 0.75 PTGS2 (0.43) PTGS2KDM1A
SCHEMBL7375735 0.74 LMNA (0.57) PTGS2MEN1MAPTKMT2ALMNA
SCHEMBL22827970 0.74 PTGS2 (1.00) PTGS2
SCHEMBL5309273 0.74 KDM1A (0.49) PTGS2KDM1APTGS1
SCHEMBL21469881 0.73 PTGS2 (0.41) PTGS2LMNA

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 2 patents. 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
WO-2020257653-A1 RADIOLABELED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-12-24 — — WO 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 4365/4885S1PR1 896/4885MEN1 26/4885

“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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