SCHEMBL1361298

SCHEMBL1361298

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CASP6 P55212 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 2/20 0.38
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.35
MAPT P10636 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL14376298 0.80 POLB (0.63) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL1364230 0.78 ALDH1A1 (0.42) ALDH1A1CASP6POLBKMT2ATSHR
SCHEMBL1363086 0.78 POLB (0.43) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL1362490 0.74 POLB (0.41) ALDH1A1POLBKMT2ACNR1SMN1; SMN2
SCHEMBL17206994 0.73 ALDH1A1 (0.41) ALDH1A1CASP6POLBKMT2ATSHR
SCHEMBL1362107 0.72 CNR1 (0.49) ALDH1A1POLBCNR1SMN1; SMN2
SCHEMBL1361378 0.69 CNR1 (0.33) ALDH1A1POLBCNR1MAPT
SCHEMBL8282180 0.69 ALDH1A1 (0.58) ALDH1A1CASP6POLBKMT2ATSHR
SCHEMBL8283572 0.68 MEN1 (0.38) ALDH1A1CASP6POLBKMT2ATSHR
SCHEMBL1362082 0.66 TSHR (0.36) POLBKMT2ATSHRMEN1LMNA

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 5 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
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
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 ALDH1A1 165/4885CASP6 2654/4885POLB 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.