SCHEMBL25517799

SCHEMBL25517799

COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2c(C)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ ALB P02768 1/20 0.43
▸ IL2 P60568 1/20 0.43
▸ CTSL P07711 5/20 0.43
▸ CTSS P25774 5/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CTSB P07858 5/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ F2R P25116 1/20 0.41

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
SCHEMBL25517797 0.90 GRN (0.49) ALBIL2F2R
SCHEMBL28951850 0.89 KMT2A (0.55) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL25533122 0.89 KMT2A (0.55) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL30174726 0.89 KMT2A (0.55) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL30174604 0.85 TAS1R3 (0.66) TAS1R3TAS1R1CTSSCTSKF2R
SCHEMBL28951561 0.85 TAS1R3 (0.66) TAS1R3TAS1R1CTSSCTSKF2R
SCHEMBL25517407 0.85 TAS1R3 (0.66) TAS1R3TAS1R1CTSSCTSKF2R
SCHEMBL25232548 0.81 KMT2A (0.58) ALBIL2CTSLCTSSCTSB
SCHEMBL25232550 0.81 KMT2A (0.58) ALBIL2CTSLCTSSCTSB
SCHEMBL24113263 0.80 KMT2A (0.54) CTSLCTSSCTSBMEN1KMT2A

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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 — — 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 TAS1R3 4078/4885TAS1R1 3310/4885ALB 20/4885

“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.

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