SCHEMBL19969990

SCHEMBL19969990

Cc1ccc(S(=O)(=O)C(=O)c2cn(S(=O)(=O)C(C)C)c3ccc(F)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 11/20 0.53
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ LMNA P02545 3/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL17176364 0.81 HTR3A (0.58) HTR3ALMNAHTR6KCNH2
SCHEMBL15557431 0.81 HTR3A (0.58) HTR3AALDH1A1KMT2AHTR6
SCHEMBL17170615 0.80 HTR3A (0.57) HTR3AALDH1A1HTR6
SCHEMBL19970012 0.78 HTR3A (0.55) HTR3AHTR6KCNH2
SCHEMBL12748700 0.75 PTGDR2 (0.54) PTGDR2LMNAHTR6KDM1AMAOA
SCHEMBL28436678 0.70 PTGDR2 (0.48) PTGDR2LMNARXFP1HTR6KDM1A
SCHEMBL17163414 0.70 HTR3A (1.00) HTR3A
SCHEMBL17163413 0.70 HTR3A (1.00) HTR3A
SCHEMBL28436683 0.69 PTGDR2 (0.47) PTGDR2LMNARXFP1HTR6KDM1A
SCHEMBL28503608 0.69 PTGDR2 (0.44) PTGDR2LMNAHTR6KDM1AMAOA

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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 — — 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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885PTGDR2 230/4885LMNA 3514/4885

“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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