SCHEMBL347249

SCHEMBL347249

Cc1nc(N2C(=O)NCC2C)sc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 5/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SCD O00767 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1911622 0.83 MEN1 (0.53) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL1911623 0.83 MEN1 (0.53) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL348399 0.72 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL4023755 0.71 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL4025720 0.69 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
Hydrochloric Acid SCHEMBL28801191 0.69 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL13787617 0.68 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL16432263 0.68 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL347469 0.67 SCD (0.54) ALDH1A1HPGDKMT2APOLBSCD
SCHEMBL16404868 0.67 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBALDH1A1HPGD

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 PIK3CD 2361/4885PIK3CA 2130/4885PIK3CB 1909/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 PIK3CD 2361/4885PIK3CA 2130/4885PIK3CB 1909/4885

“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.