SCHEMBL19702017

SCHEMBL19702017

CC(C)c1cccc(N2CCC(N(C)S(C)(=O)=O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
HRH3 Q9Y5N1 1/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
PIK3CD O00329 3/20 0.46
NPY5R Q15761 8/20 0.43

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
SCHEMBL19710506 0.82 NPY5R (0.58) NOTUMHTR2AHTR2CPIK3CDNPY5R
SCHEMBL19658404 0.81 NOTUM (0.58) NOTUMHRH3PIK3CDNPY5R
SCHEMBL19652215 0.80 NOTUM (0.57) NOTUMHRH3NPY5R
SCHEMBL19702022 0.77 NOTUM (0.54) NOTUMHRH3PIK3CDNPY5R
SCHEMBL19701981 0.76 ALDH1A1 (0.50) NOTUMHRH3
SCHEMBL16019525 0.76 NOTUM (0.56) NOTUMHRH3
SCHEMBL19702028 0.76 NOTUM (0.62) NOTUMHRH3PIK3CD
SCHEMBL23844238 0.76 NOTUM (0.58) NOTUMHRH3
SCHEMBL25605922 0.76 NOTUM (0.62) NOTUMHRH3
SCHEMBL13929507 0.76 NOTUM (0.58) NOTUMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 NOTUM 3221/4885HRH3 61/4885HTR2A 2338/4885

“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.