SCHEMBL347920

SCHEMBL347920

Cc1nc(N2CCN(Cc3cc(F)cc(F)c3)C2=O)sc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.66
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
ROCK2 O75116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL348231 0.90 SCD (0.80) SCDROCK2
SCHEMBL242074 0.89 SCD (0.82) SCDKDM4ELMNAPOLBMAPT
SCHEMBL347143 0.86 SCD (0.65) SCDPIK3CDPIK3CAPIK3CBROCK2
SCHEMBL245185 0.85 SCD (0.77) SCDPIK3CDPIK3CAPIK3CBPOLB
SCHEMBL13557327 0.83 SCD (0.67) SCDPIK3CDPIK3CAPIK3CBKDM4E
SCHEMBL245171 0.83 SCD (0.67) SCDKDM4ELMNAPOLBRAB9A
SCHEMBL243951 0.83 SCD (0.73) SCDPIK3CDPIK3CAPIK3CBKDM4E
SCHEMBL246369 0.83 SCD (0.72) SCDKDM4ELMNAPOLBMAPT
SCHEMBL241999 0.82 SCD (0.88) SCD
SCHEMBL348110 0.82 SCD (0.60) SCDLMNA

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-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885PIK3CD 2361/4885PIK3CA 2130/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885PIK3CD 2361/4885PIK3CA 2130/4885

“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.