SCHEMBL25660947

SCHEMBL25660947

C[C@H](CCCCBC#N)NC(=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
ACACB O00763 2/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL27639734 0.75 NAAA (0.53) GAACYP2C9CYP2C19CTSKCTSL
SCHEMBL15715059 0.73 GAA (0.49) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL27639742 0.71 GAA (0.51) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL24568205 0.70 GAA (0.47) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL15961740 0.70 TP53 (0.49) GAASMN1; SMN2ACACBALDH1A1
SCHEMBL23253780 0.69 GAA (0.46) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL19927899 0.69 GAA (0.46) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL21516188 0.68 MEN1 (0.46) GAACYP2C9CYP2C19SMN1; SMN2ACACB
SCHEMBL24567736 0.68 GAA (0.61) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10308293 0.68 GAA (0.61) GAACYP2C9CYP2C19SMN1; SMN2HSD17B10

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-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 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-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP GAA 74/4885CYP2C9 1880/4885CYP2C19 969/4885

“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.