SCHEMBL1362594

SCHEMBL1362594

CN1C(=O)NC(C)(CS)C1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
PADI4 Q9UM07 1/20 0.30

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
SCHEMBL16553553 0.80 TSHR (0.38) TSHRCYP2C19POLBATMLMNA
SCHEMBL15026088 0.80 CYP2C19 (0.46) TSHRCYP2C19POLBATMLMNA
SCHEMBL1362195 0.76 POLB (0.38) POLBATMPADI4
SCHEMBL1364096 0.75 POLB (0.41) TSHRPOLBATMLMNAPADI4
SCHEMBL13293899 0.75 TSHR (0.35) TSHRCYP2C19POLBATM
Hydrochloric Acid SCHEMBL3244070 0.74 TSHR (0.34) TSHRCYP2C19POLBATM
SCHEMBL1362234 0.74 POLB (0.31) POLB
SCHEMBL1362974 0.74 POLB (0.31) POLB
SCHEMBL1361379 0.74 CNR1 (0.47) CYP2C19POLBPADI4
SCHEMBL1364230 0.71 ALDH1A1 (0.42) TSHRPOLBATMLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8066977-B2 Agent for permanent hair waving containing heterocyclic mercapto compound SHOWA DENKO K.K. (JP) 2011-11-29 US disclosed
CN-101184528-B Permanent waving agent containing heterocyclic mercapto compound SHOWA DENKO KK 2010-12-29 CN disclosed
EP-1883454-B1 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO KK (JP) 2009-11-04 EP disclosed
US-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound SHOWA DENKO K.K. (JP) 2009-08-20 US disclosed
CN-101184528-A Permanent waving agent containing heterocyclic mercapto compound SHOWA DENKO KK (JP) 2008-05-21 CN disclosed
EP-1883454-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2008-02-06 EP disclosed
WO-2006126729-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2006-11-30 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 (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-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound NSD3, WNT3, MSRB3 TSHR 1561/4885CYP2C19 2484/4885POLB 2609/4885

“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.