SCHEMBL557341

SCHEMBL557341

C=CCOC(=O)[C@H](N)CSCC=C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 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
SCHEMBL15703475 0.90 MAPT (0.33) MAPTCACNA1BAPBA1SMN1; SMN2CYP3A4
SCHEMBL3634048 0.85 MAPT (0.39) MAPTCACNA1BAPBA1SMN1; SMN2CYP3A4
SCHEMBL3637092 0.85 MAPT (0.39) MAPTCACNA1BAPBA1SMN1; SMN2CYP3A4
SCHEMBL11861945 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALOX5TSHRALDH1A1
SCHEMBL3146412 0.83 SMN1; SMN2 (0.46) MAPTCACNA1BAPBA1SMN1; SMN2CYP3A4
SCHEMBL4412611 0.82 ALOX5 (0.34) SMN1; SMN2ALOX5ARG1ARG2GRIK1
SCHEMBL929643 0.82 KIF11 (0.37) SMN1; SMN2ALOX5ALDH1A1ARG1ARG2
SCHEMBL14160472 0.82 KIF11 (0.37) SMN1; SMN2ALOX5ALDH1A1ARG1ARG2
SCHEMBL24247663 0.81 MAPT (0.33) MAPTCACNA1BAPBA1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL18951922 0.81 KIF11 (0.36) SMN1; SMN2ALOX5ALDH1A1ARG1ARG2

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-20120034364-A1 USE OF PEPTIDES FOR IMPARTING KOKUMI AJINOMOTO CO., INC. (JP) 2012-02-09 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-20120034364-A1 USE OF PEPTIDES FOR IMPARTING KOKUMI GIPR, GABRA6, GABRB1 MAPT 3274/4885CACNA1B 296/4885APBA1 245/4885

“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.