SCHEMBL25658908

SCHEMBL25658908

CCCCC[C@H](NC(=O)c1cccc(OCCF)c1)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.55
TAS1R3 Q7RTX0 4/20 0.51
TAS1R1 Q7RTX1 4/20 0.51
NR1H4 Q96RI1 2/20 0.50
THRB P10828 2/20 0.48
ERAP2 Q6P179 2/20 0.48
LNPEP Q9UIQ6 1/20 0.48
ERAP1 Q9NZ08 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 1/20 0.46
THRA P10827 1/20 0.46

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 0.96 SMPD1 (0.55) SMPD1TAS1R3TAS1R1NR1H4THRB
SCHEMBL25658909 0.92 SMPD1 (0.53) SMPD1TAS1R3TAS1R1NR1H4THRB
SCHEMBL25658910 0.88 SMPD1 (0.53) SMPD1TAS1R3TAS1R1NR1H4THRB
SCHEMBL25658911 0.84 CTSH (0.50) SMPD1NR1H4
SCHEMBL19983071 0.84 TDP1 (0.48) MEN1KMT2A
SCHEMBL25658921 0.83 SMPD1 (0.53) SMPD1TAS1R3TAS1R1NR1H4THRB
SCHEMBL25660461 0.82 MAOB (0.44) SMPD1TAS1R3TAS1R1NR1H4ERAP2
SCHEMBL25658905 0.82 TAS1R3 (0.57) TAS1R3TAS1R1ERAP2LNPEPERAP1
SCHEMBL25658922 0.80 CTSH (0.50) SMPD1NR1H4
SCHEMBL19983005 0.80 TDP1 (0.48) MEN1KMT2A

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 SMPD1 1443/4885TAS1R3 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.