SCHEMBL1361946

SCHEMBL1361946

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.35
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EP300 Q09472 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE7A Q13946 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
SCHEMBL1362924 0.78 MEN1 (0.37) PIK3CDCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL1362913 0.77 LMNA (0.47) ALDH1A1MEN1KMT2ALMNA
SCHEMBL1364257 0.73 LMNA (0.33) CYP19A1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1363146 0.71 SMN1; SMN2 (0.42) CYP19A1KMT2ASMN1; SMN2GAAPDE4B
SCHEMBL1363013 0.68
SCHEMBL11582519 0.65 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL16658928 0.65 F2 (0.45) PIK3CDALDH1A1EP300SMN1; SMN2GAA
SCHEMBL1361386 0.64
SCHEMBL8283896 0.64 CYP19A1 (0.44) PIK3CDCYP19A1ALDH1A1EP300SMN1; SMN2
SCHEMBL8282197 0.64 PIK3CD (0.42) PIK3CDCYP19A1ALDH1A1EP300GAA

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 PIK3CD 4863/4885CYP19A1 1907/4885ALDH1A1 165/4885

“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.