Sugi Predict

Sugi Predict / Compounds / SCHEMBL7933989

SCHEMBL7933989

SCHEMBL7933989

CCOC(=O)c1sc(NC(=O)CS)nc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ CYP1A2 P05177 2/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ CYP2C19 P33261 2/20 0.77
▸ GSTO1 P78417 1/20 0.71
▸ DHODH Q02127 12/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ ADORA2A P29274 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ PPARG P37231 1/20 0.66
▸ NCOA2 Q15596 1/20 0.66
▸ NCOA1 Q15788 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ ALDH1A1 P00352 4/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ HTT P42858 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL15064976 0.87 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3580925 0.85 KMT2A (0.78) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28721843 0.84 DHODH (0.77) MEN1KMT2ACYP1A2CYP2C9CYP2C19
Bromide SCHEMBL7142168 0.83 MEN1 (0.75) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2318449 0.83 MEN1 (0.75) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL27971291 0.82 DHODH (1.00) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5549620 0.82 MEN1 (0.67) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1449522 0.82 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13944335 0.82 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL23742099 0.81 DHODH (0.72) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 — — WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — WO 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 MEN1 938/4885KMT2A 799/4885CYP1A2 1547/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885CYP1A2 927/4885

“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.