SCHEMBL475287

SCHEMBL475287

CCC(C(=O)O)c1snc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL3716133 0.83 ADORA2B (0.38) ADORA2BALOX15LMNASMN1; SMN2MEN1
SCHEMBL9972908 0.76 KMT2A (0.44) ADORA2BLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1689594 0.76 TRPA1 (0.34) TP53ALOX15TRPA1
SCHEMBL13834428 0.73 ALDH1A1 (0.36) ADORA2BTP53LMNASMN1; SMN2MAPT
SCHEMBL1689535 0.71 ADORA2B (0.40) ADORA2BALOX15LMNAKMT2ATAS2R14
SCHEMBL13190508 0.68 ALOX15 (0.42) ADORA2BALOX15LMNATAS2R14MAPT
SCHEMBL14981131 0.67 TNF (0.44) TP53ALOX15LMNASMN1; SMN2TAS2R14
SCHEMBL14981101 0.66 ALDH1A1 (0.36) TP53ALOX15LMNASMN1; SMN2MEN1
SCHEMBL9972885 0.64 KDM4E (0.41) ADORA2BLMNAKMT2AKDM4EALDH1A1
SCHEMBL14972716 0.63 KDM4E (0.36) ADORA2BTP53KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
EP-2411397-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 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-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 ADORA2B 133/4885TP53 1503/4885ALOX15 869/4885

“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.