SCHEMBL25660461

SCHEMBL25660461

COC(=O)[C@H](CCCCBC#N)NC(=O)c1cccc(OCCCF)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
SMPD1 P17405 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
LNPEP Q9UIQ6 3/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ERAP2 Q6P179 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL25658920 0.86 SMPD1 (0.55) MAOBTAS1R3TAS1R1SMPD1MEN1
SCHEMBL25660156 0.85 CTSL (0.49) TAS1R3TAS1R1MEN1KMT2ALNPEP
SCHEMBL25658908 0.82 SMPD1 (0.55) MAOBTAS1R3TAS1R1SMPD1MEN1
SCHEMBL25660004 0.81 TSHR (0.44) TAS1R3TAS1R1MEN1KMT2ALNPEP
SCHEMBL19983005 0.79 TDP1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL19983071 0.75 TDP1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL25658921 0.75 SMPD1 (0.53) MAOBTAS1R3TAS1R1SMPD1MEN1
SCHEMBL25658909 0.75 SMPD1 (0.53) MAOBTAS1R3TAS1R1SMPD1MEN1
SCHEMBL25658922 0.72 CTSH (0.50) SMPD1NR1H4
SCHEMBL19972773 0.71 CTSK (0.59)

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 MAOB 2255/4885TAS1R3 1274/4885TAS1R1 896/4885

“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.