SCHEMBL13327129

SCHEMBL13327129

CCOC(=S)ON1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL13327130 0.89 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL20099725 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL12681499 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL13327124 0.76 LMNA (0.39) ALDH1A1SMN1; SMN2TSHRKMT2AL3MBTL1
SCHEMBL2825657 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11583923 0.75 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL1006031 0.74 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL13327132 0.74 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRTDP1KMT2A
SCHEMBL20919927 0.74 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL21987044 0.74 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2

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-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 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-20080132600-A1 N-Substituted Imides As Polymerization Initiators NR1H3, SIGMAR1, NR1H2 ALDH1A1 2799/4885CYP1A2 134/4885CYP3A4 86/4885

“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.