SCHEMBL2420106

SCHEMBL2420106

Cn1ncc(C#N)c1NS(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.40
PTGS1 P23219 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL20540355 0.72 SMN1; SMN2 (0.54) PTGS2PTGS1SMN1; SMN2ALDH1A1TP53
SCHEMBL6174901 0.68 POLB (0.41) SMN1; SMN2ALDH1A1TP53POLBHPGD
SCHEMBL8997215 0.68 PTGS1 (0.55) PTGS2PTGS1SMN1; SMN2ALDH1A1TP53
SCHEMBL175251 0.67
SCHEMBL8997219 0.66 PTGS1 (0.58) PTGS2PTGS1SMN1; SMN2ALDH1A1TP53
SCHEMBL8554538 0.66 PTGS1 (0.54) PTGS2PTGS1SMN1; SMN2ALDH1A1TP53
SCHEMBL8997373 0.66 POLB (0.39) SMN1; SMN2ALDH1A1TP53POLBHPGD
SCHEMBL945674 0.65
SCHEMBL20539675 0.65 HPGD (0.41) SMN1; SMN2ALDH1A1TP53POLBHPGD
SCHEMBL9686866 0.64 POLB (0.39) SMN1; SMN2ALDH1A1TP53POLBHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 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-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 PTGS2 3960/4885PTGS1 4009/4885SMN1; SMN2 4713/4885

“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.