SCHEMBL18329138

SCHEMBL18329138

C=CC(=O)NC(C)CCC(CS(=O)(=O)O)NC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ACACB O00763 2/20 0.35
TGM2 P21980 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL18333590 0.90 TSHR (0.42) TSHRTGM2ZDHHC20ZDHHC2
SCHEMBL18329139 0.86 TSHR (0.44) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL28967291 0.86 TSHR (0.44) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL20381429 0.84 TAS1R3 (0.44) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL2559046 0.84 TAS1R3 (0.44) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL28750633 0.83 TSHR (0.52) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL36064 0.83 TSHR (0.52) TSHRACACBTGM2ZDHHC20ZDHHC2
Ammonia Solution, Strong SCHEMBL31228295 0.82 TSHR (0.50) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL10638254 0.82 TSHR (0.50) TSHRACACBTGM2ZDHHC20ZDHHC2
SCHEMBL2722430 0.81 ZDHHC20 (0.44) TSHRTGM2ZDHHC20ZDHHC2

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-20160369017-A1 CURABLE COMPOSITION, POLYMER FUNCTIONAL CURED PRODUCT, WATER-SOLUBLE ACRYLAMIDE COMPOUND, AND METHOD FOR MANUFACTURING SAME FUJIFILM CORPORATION (JP) 2016-12-22 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-20160369017-A1 CURABLE COMPOSITION, POLYMER FUNCTIONAL CURED PRODUCT, WATER-SOLUBLE ACRYLAMIDE COMPOUND, AND METHOD FOR MANUFACTURING SAME MRPL21, WDR1, CCNT1 TSHR 3075/4885ACACB 1998/4885TGM2 1510/4885

“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.