SCHEMBL23117307

SCHEMBL23117307

CCCCCCCCC/C=C\CCCCCCCCSC[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.50
MAPT P10636 5/20 0.48
CYP2C9 P11712 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A5 Q9Y345 2/20 0.46
ALDH1A1 P00352 1/20 0.45
BLM P54132 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GMNN O75496 2/20 0.44
POLB P06746 2/20 0.44
CES2 O00748 1/20 0.44
THRB P10828 1/20 0.44
EPHX2 P34913 2/20 0.44
TERT O14746 3/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43

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
SCHEMBL9275572 1.00 ICMT (0.50) ICMTMAPTCYP2C9TP53CYP1A2
SCHEMBL9275581 1.00 ICMT (0.50) ICMTMAPTCYP2C9TP53CYP1A2
SCHEMBL23117309 1.00 ICMT (0.50) ICMTMAPTCYP2C9TP53CYP1A2
SCHEMBL9119016 0.92 ICMT (0.53) ICMTMAPTCYP2C9TP53ALDH1A1
SCHEMBL19927710 0.92 ICMT (0.53) ICMTMAPTCYP2C9TP53ALDH1A1
SCHEMBL9117736 0.92 ICMT (0.53) ICMTMAPTCYP2C9TP53ALDH1A1
SCHEMBL9545188 0.92 ICMT (0.53) ICMTMAPTCYP2C9TP53ALDH1A1
SCHEMBL9545182 0.92 ICMT (0.53) ICMTMAPTCYP2C9TP53ALDH1A1
SCHEMBL19927712 0.92 ICMT (0.53) ICMTMAPTCYP2C9TP53ALDH1A1
SCHEMBL4953347 0.85 ICMT (0.49) ICMTMAPTCYP2C9TP53ALDH1A1

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-20210087337-A1 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS VYOME THERAPEUTICS LIMITED (IN) 2021-03-25 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-20210087337-A1 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO ANTIMICROBIAL APPLICATIONS CUTA, GMPS, MMP8 ICMT 1810/4885MAPT 3659/4885CYP2C9 1352/4885

“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.