SCHEMBL348625

SCHEMBL348625

Cc1nc(N2CCN(CC(C)C)C2=O)sc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.50
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TARBP2 Q15633 1/20 0.37

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
SCHEMBL347675 0.89 SCD (0.62) SCDPIK3CDPIK3CAPIK3CBHDAC1
SCHEMBL348987 0.85 ALDH1A1 (0.48) SCDHDAC1ALDH1A1HPGDTSHR
SCHEMBL243883 0.85 SCD (0.53) SCDPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL14047622 0.84 SCD (0.44) SCDPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL241830 0.83 SCD (0.51) SCDPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL242625 0.81 SCD (0.59) SCDPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL244565 0.81 SCD (0.59) SCDPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL244298 0.80 SCD (0.56) SCDPIK3CDPIK3CAPIK3CB
SCHEMBL4021736 0.80 SCD (0.48) SCDPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL347605 0.80 SCD (0.51) SCDPIK3CDPIK3CAPIK3CBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP disclosed
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-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 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-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 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
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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.