SCHEMBL2698110

SCHEMBL2698110

Cn1c(=O)c2c(cnn2CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.74
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.54
TRPV4 Q9HBA0 2/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2697091 0.92 TRPA1 (0.65) TRPA1MAPTTRPV4KMT2ASMN1; SMN2
SCHEMBL612868 0.91 TRPA1 (0.69) TRPA1MAPTTRPV4KMT2ASMN1; SMN2
SCHEMBL2694520 0.90 MAPT (0.69) TRPA1MAPTALDH1A1TRPV4KMT2A
SCHEMBL2696346 0.87 MAPT (0.69) TRPA1MAPTALDH1A1TRPV4KMT2A
SCHEMBL2696517 0.86 TRPA1 (0.73) TRPA1MAPTTRPV4SMN1; SMN2
SCHEMBL611202 0.86 TRPA1 (0.77) TRPA1MAPTTRPV4
SCHEMBL15746155 0.85 TRPA1 (0.62) TRPA1MAPTTRPV4
SCHEMBL2697566 0.84 TRPA1 (0.68) TRPA1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL612857 0.84 TRPA1 (0.73) TRPA1MAPTTRPV4
SCHEMBL612002 0.83 TRPA1 (0.66) TRPA1MAPTTRPV4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-11-01 US disclosed
US-9980968-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-05-29 US disclosed
US-9980968-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-05-29 US disclosed
US-9980968-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-05-29 US disclosed
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2016-12-08 US disclosed
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2016-12-08 US disclosed
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2016-12-08 US disclosed
US-9260431-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2016-02-16 US disclosed
US-20140303192-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2014-10-09 US disclosed
US-20140303192-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2014-10-09 US disclosed
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-8318728-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2012-11-27 US disclosed
US-8318728-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2012-11-27 US disclosed
US-8318728-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2012-11-27 US disclosed
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
WO-2010039289-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2010-04-08 WO disclosed
WO-2009158719-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2009-12-30 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 (5 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-20140303192-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885MAPT 2844/4885ALDH1A1 1104/4885
US-20160354379-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885MAPT 2844/4885ALDH1A1 1104/4885
US-20130165454-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WAREFARE AGENT-INDUCED INJURIES CASP3, MGMT, ELANE TRPA1 169/4885MAPT 1662/4885ALDH1A1 482/4885
US-20180311248-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885MAPT 2844/4885ALDH1A1 1104/4885
US-20120108613-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TRPA1 123/4885MAPT 2844/4885ALDH1A1 1104/4885

“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.