SCHEMBL12848866

SCHEMBL12848866

CCC(C)c1nc(C)c(C)s1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CTSA P10619 1/20 0.34
APLNR P35414 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL9923027 0.81 NOS1 (0.37) NOS1CTSAAPLNR
SCHEMBL2600726 0.77 NOS1 (0.44) NOS1TLR8TLR7CTSAAPLNR
SCHEMBL2483086 0.74 ALDH1A1 (0.49) TLR8TLR7
SCHEMBL13104307 0.74 RXFP1 (0.47)
SCHEMBL23869812 0.73 NOS1 (0.41) NOS1CTSAAPLNR
SCHEMBL20738686 0.73 NOS1 (0.41) NOS1CTSAAPLNR
SCHEMBL3248176 0.73 NOS1 (0.46) NOS1CTSAAPLNR
SCHEMBL12179230 0.73 NOS1 (0.41) NOS1CTSAAPLNR
SCHEMBL6010207 0.73 NOS1 (0.41) NOS1CTSAAPLNR
SCHEMBL30209038 0.73 NOS1 (0.46) NOS1CTSAAPLNR

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS1 335/4885TLR8 40/4885TLR7 70/4885

“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.