SCHEMBL420626

SCHEMBL420626

CC(=O)OC(CS)C(C)N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ENPEP Q07075 6/20 0.36
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
PGD P52209 1/20 0.31
ALOX15 P16050 1/20 0.31
ANPEP P15144 3/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL29462431 0.84 TDP1 (0.46) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL421702 0.83 TRPV1 (0.41) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL421695 0.81 TDP1 (0.38) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL421642 0.80 TSHR (0.44) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL420619 0.80 TSHR (0.44) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL420369 0.77 TDP1 (0.42) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL420604 0.77 TSHR (0.41) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL14948794 0.75
SCHEMBL420333 0.74 BLM (0.41) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL420644 0.74 TRPV1 (0.47) TSHRTDP1TRPV1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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 (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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 TSHR 791/4885TDP1 2649/4885TRPV1 1161/4885

“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.