SCHEMBL1108960

SCHEMBL1108960

CCCS(=O)(=O)c1ccc2[nH]c(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.52
CYP2C19 P33261 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL1100753 0.84 CYP2C9 (0.51) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL28209330 0.80 IRAK4 (0.53) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL17702669 0.80 LMNA (0.48)
SCHEMBL3063016 0.80 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL8501874 0.80 NPBWR1 (0.47)
SCHEMBL4318643 0.78 HDAC6 (0.46)
SCHEMBL14493326 0.78 MAPT (0.51)
Hydrochloric Acid SCHEMBL32662723 0.77 ALDH1A1 (0.44)
SCHEMBL12684800 0.76 LMNA (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL11371864 0.76 TAS2R14 (0.54)

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-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 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-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 CYP2C9 2541/4885CYP2C19 3340/4885CYP1A2 2066/4885

“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.