SCHEMBL930610

SCHEMBL930610

CCCC(S)C(=O)NCCCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.46
RRM1 P23921 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
EPHX1 P07099 6/20 0.38
ALDH1A1 P00352 2/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MMP8 P22894 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL928991 0.98 RRM1 (0.45) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL929889 0.95 DPP7 (0.43) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL929992 0.87 TDP1 (0.39) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL931004 0.85 USP2 (0.42) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL928482 0.84 ALDH1A2 (0.44) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL929789 0.81 ALDH1A1 (0.50) DPP7RRM1EPHX1ALDH1A1ALDH1A2
SCHEMBL929089 0.79 USP2 (0.43) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL929877 0.79 ALDH1A1 (0.48) DPP7RRM1EPHX1ALDH1A1ALDH1A2
SCHEMBL930855 0.79 TDP1 (0.42) DPP7ALDH1A1HDAC3HDAC4HDAC1
Propionamide SCHEMBL27611018 0.76 ALDH1A1 (0.42) DPP7RRM1GNAI3GNAO1GNAI1

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-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US claimed
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed
US-9476087-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-10-25 US disclosed
US-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY UNIV NANYANG TECH (SG) 2014-10-30 US disclosed
US-8802387-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-12 US disclosed
US-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US disclosed
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 US 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 (2 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-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB DPP7 363/4885RRM1 1656/4885GNAI3 1579/4885
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB DPP7 358/4885RRM1 1566/4885GNAI3 1528/4885

“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.