SCHEMBL1362082

SCHEMBL1362082

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3126654 0.74 POLB (0.52) TSHRCYP2C19LMNAPOLBMEN1
SCHEMBL1362490 0.72 POLB (0.41) POLBKMT2A
SCHEMBL6239127 0.70 TSHR (0.36) TSHRCYP2C19LMNAPOLBATM
SCHEMBL4618919 0.70 TSHR (0.44) TSHRCYP2C19LMNAPOLBATM
SCHEMBL4622057 0.70 TSHR (0.33) TSHRCYP2C19ATM
SCHEMBL1361378 0.70 CNR1 (0.33) POLB
SCHEMBL1363086 0.70 POLB (0.43) TSHRCYP2C19LMNAPOLBMEN1
SCHEMBL1362594 0.70 TSHR (0.37) TSHRCYP2C19LMNAPOLBATM
SCHEMBL4621326 0.70 TSHR (0.33) TSHRCYP2C19
SCHEMBL1362107 0.69 CNR1 (0.49) CYP2C19POLB

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 2484/4885LMNA 4386/4885

“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.