SCHEMBL243392

SCHEMBL243392

Cc1nc(N2C[C@@H](Cc3ccccc3)NC2=O)sc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.78
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL243393 1.00 SCD (0.78) SCDSMN1; SMN2NPC1PIK3CDPIK3CA
SCHEMBL1909537 0.89 SCD (0.71) SCDSMN1; SMN2NPC1
SCHEMBL243092 0.88 SCD (1.00) SCD
SCHEMBL243091 0.88 SCD (1.00) SCD
SCHEMBL1909622 0.78 SCD (0.57) SCDSMN1; SMN2
SCHEMBL348399 0.77 PIK3CD (0.48) SCDSMN1; SMN2NPC1PIK3CDPIK3CA
SCHEMBL245185 0.74 SCD (0.77) SCDSMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL243706 0.72 SCD (0.61) SCDSMN1; SMN2NPC1PIK3CDPIK3CA
SCHEMBL242203 0.71 SCD (0.52) SCDSMN1; SMN2NPC1PIK3CDPIK3CA
SCHEMBL245141 0.70 SCD (0.69) SCDSMN1; SMN2NPC1

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-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 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 (2 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 3878/4885NPC1 242/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 3581/4885NPC1 228/4885

“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.