SCHEMBL30174604

SCHEMBL30174604

COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.66
▸ TAS1R1 Q7RTX1 1/20 0.66
▸ CCKBR P32239 2/20 0.56
▸ F2R P25116 1/20 0.54
▸ REN P00797 1/20 0.53
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ PYGL P06737 3/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ CYP51A1 Q16850 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ AKR1C3 P42330 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL28951561 1.00 TAS1R3 (0.66) TAS1R3TAS1R1CCKBRF2RREN
SCHEMBL25517407 1.00 TAS1R3 (0.66) TAS1R3TAS1R1CCKBRF2RREN
SCHEMBL30557031 0.95 TAS1R3 (0.70) TAS1R3TAS1R1CCKBRF2RCTSS
SCHEMBL30174883 0.88 CCKBR (0.61) CCKBRF2RRENPYGLCYP51A1
SCHEMBL25517406 0.88 CCKBR (0.61) CCKBRF2RRENPYGLCYP51A1
SCHEMBL25194705 0.88 CCKBR (0.61) CCKBRF2RRENPYGLCYP51A1
SCHEMBL25224163 0.88 CCKBR (0.61) CCKBRF2RRENPYGLCYP51A1
SCHEMBL23711803 0.87 CTSL (0.52) TAS1R3TAS1R1F2R
SCHEMBL28951200 0.87 PYGL (0.65) RENPYGLCYP51A1
SCHEMBL25517761 0.87 PYGL (0.65) RENPYGLCYP51A1

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 2 patents. 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
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 — — EP 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 3310/4885CCKBR 3615/4885

“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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