SCHEMBL7128797

SCHEMBL7128797

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCc3cccc4ccccc34)cc2n1CCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
CASR P41180 1/20 0.34
CXCR4 P61073 3/20 0.33
NOD1 Q9Y239 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ACSS2 Q9NR19 4/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 2/20 0.32
NQO2 P16083 1/20 0.32
TP53 P04637 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7068356 0.93 ACSS2 (0.37) TRPV1CXCR4NOD1ACSS2MTNR1A
SCHEMBL7070345 0.89 TRPV1 (0.37) TRPV1NOD1ACSS2MTNR1AMTNR1B
SCHEMBL7071888 0.88 ACSS2 (0.41) TRPV1NOD1ACSS2MTNR1ACYP2C19
SCHEMBL7067795 0.87 F9 (0.37) CASRACSS2
SCHEMBL7073509 0.86 PDE4A (0.38) ACSS2
SCHEMBL7067770 0.85 NOD1 (0.37) TRPV1NOD1CA12CA1CA2
SCHEMBL7069727 0.85 TRPV1 (0.36) TRPV1NOD1ACSS2MTNR1AMTNR1B
SCHEMBL7069822 0.84 ACSS2 (0.34) ACSS2
SCHEMBL7072408 0.79 ACSS2 (0.37) TRPV1CXCR4NOD1ACSS2MTNR1A
SCHEMBL7071922 0.79 NOD1 (0.37) TRPV1CXCR4NOD1ACSS2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TRPV1 823/4885CASR 2956/4885CXCR4 2356/4885

“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.