SCHEMBL23824708

SCHEMBL23824708

Nc1ncc(CCC(=O)O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.40
▸ PLAU P00749 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE9A O76083 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ MAP4K4 O95819 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
SCHEMBL7537525 0.89 AOC3 (0.46) AOC3HSD17B10
SCHEMBL8225111 0.82 AOC3 (0.50) AOC3HSD17B10CYP1A2
SCHEMBL7112651 0.81 CYP1A2 (0.42) HSD17B10CYP1A2CYP2C9P4HTMNPSR1
SCHEMBL18782928 0.78 CYP1A2 (0.43) HSD17B10CYP1A2CYP2C9P4HTMPLAU
SCHEMBL889024 0.77 HRH4 (0.55) HSD17B10CYP1A2CYP2C9P4HTMNPSR1
SCHEMBL3396659 0.77 CYP1A2 (0.42) HSD17B10CYP1A2CYP2C9P4HTMPLAU
SCHEMBL18071081 0.75 GRIA1 (0.46) AOC3CYP1A2CYP2C9
SCHEMBL5201259 0.74 PDE9A (0.40) HSD17B10CYP1A2CYP2C9P4HTMNPSR1
SCHEMBL13095827 0.73 SLC7A5 (0.54) AOC3HSD17B10CYP1A2CYP2C9NPSR1
SCHEMBL3696353 0.72 QPCT (0.55) AOC3HSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 — — US disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 — — EP disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 — — US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 — — US disclosed
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 — — US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 — — WO disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 — — US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — US disclosed
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 — — 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 (8 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL AOC3 2019/4885HSD17B10 966/4885CYP1A2 792/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL AOC3 2019/4885HSD17B10 966/4885CYP1A2 792/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL AOC3 2019/4885HSD17B10 966/4885CYP1A2 792/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL AOC3 2046/4885HSD17B10 1711/4885CYP1A2 2410/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AOC3 1928/4885HSD17B10 1706/4885CYP1A2 1674/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL AOC3 2046/4885HSD17B10 1711/4885CYP1A2 2410/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL AOC3 2019/4885HSD17B10 966/4885CYP1A2 792/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV AOC3 1873/4885HSD17B10 1162/4885CYP1A2 746/4885

“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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