SCHEMBL6402178

SCHEMBL6402178

Cc1ccc(S(=O)(=O)NC(=N)NC(CC[C@@H](CO)NC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
LMNA P02545 3/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALB P02768 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 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
SCHEMBL4095386 0.80 ALDH1A1 (0.48) GAALMNACA2CA1CA12
SCHEMBL9316028 0.69 MMP2 (0.61) GAALMNACA2CA1CA12
SCHEMBL6402176 0.67 ALDH1A1 (0.43) GAALMNACA2CA1CA12
SCHEMBL27513081 0.66 ALDH1A1 (0.50) GAALMNACA2CA1SLC1A3
SCHEMBL29438757 0.66 ALDH1A1 (0.50) GAALMNACA2CA1SLC1A3
SCHEMBL4433373 0.66 ALDH1A1 (0.50) GAALMNACA2CA1SLC1A3
SCHEMBL18620594 0.65 GAA (0.57) GAALMNACA2CA1CA12
SCHEMBL12406332 0.65 CA2 (0.58) GAACA2CA1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL4425988 0.65 ALDH1A1 (0.49) GAALMNACA2CA1SLC1A3
SCHEMBL3489662 0.65 ALDH1A1 (0.51) GAALMNACA2CA1CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 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-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 GAA 4099/4885LMNA 85/4885CA2 3761/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT GAA 1616/4885LMNA 129/4885CA2 1238/4885

“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.