SCHEMBL1363544

SCHEMBL1363544

CC1(CCl)NC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ADAMTS5 Q9UNA0 16/20 0.39
MMP2 P08253 10/20 0.39
ADAM17 P78536 6/20 0.39
ADAMTS4 O75173 5/20 0.39
MMP13 P45452 5/20 0.38
MMP3 P08254 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 3/20 0.36
ADAMTS1 Q9UHI8 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11676230 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL13209004 0.78 LMNA (0.48) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL542612 0.78 LMNA (0.48) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL2185650 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL1132700 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL8342071 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL13209009 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL15427305 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL4107323 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL3245044 0.76 ADAMTS5 (0.41) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2

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 9 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
US-20060051846-A1 Process for producing l-alpha-methylcysteine derivative KANEKA CORPORATION (JP) 2006-03-09 US disclosed
EP-1541692-A1 PROCESS FOR PRODUCING L-a-METHYLCYSTEINE DERIVATIVE KANEKA CORPORATION (JP) 2005-06-15 EP 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 SMN1; SMN2 3473/4885NPSR1 773/4885ALDH1A1 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.