SCHEMBL3248982

SCHEMBL3248982

CC(C)S(=O)(=O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
CA2 P00918 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACP3 P15309 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTNNB1 P35222 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 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
SCHEMBL3245793 0.79 NQO2 (0.57) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL8109577 0.79 CA2 (0.55) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL295141 0.77 CA2 (0.53) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL40373 0.77 TDP1 (0.55) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL5507285 0.76 CA2 (0.61) NQO2CA2CYP1A2CYP2C19CYP2D6
Naphthalene SCHEMBL9470169 0.76 TDP1 (0.53) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL5507279 0.76 CA2 (0.51) NQO2CA2CYP1A2CYP2C19CYP2D6
Ammonia Solution, Strong SCHEMBL10719436 0.76 TDP1 (0.53) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL30532459 0.76 TDP1 (0.53) NQO2CA2CYP1A2CYP2C19CYP2D6
SCHEMBL10423976 0.75 NQO2 (0.49) NQO2CA2CYP1A2CYP2C19CYP2D6

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 NQO2 731/4885CA2 1149/4885CYP1A2 1561/4885

“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.