SCHEMBL2058766

SCHEMBL2058766

COC(=O)[C@@H](N)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
RECQL P46063 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
FDPS P14324 1/20 0.49
NLRP3 Q96P20 1/20 0.48
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NAPRT Q6XQN6 1/20 0.46
GAA P10253 1/20 0.46
TBXAS1 P24557 2/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1693107 1.00 ALDH1A1 (0.49) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
SCHEMBL29627252 1.00 ALDH1A1 (0.49) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
SCHEMBL19699200 1.00 ALDH1A1 (0.49) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL23824596 0.98 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL3290757 0.98 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29657168 0.98 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL23824594 0.98 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL28366706 0.98 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5568685 0.98 ALDH1A1 (0.48) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4440325 0.91 TBXAS1 (0.45) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9

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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2024-08-08 US disclosed
US-11845724-B2 USP30 inhibitors and uses thereof VINCERE BIOSCIENCES, INC. (US) 2023-12-19 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2022-10-06 US disclosed
EP-4028385-A1 USP30 INHIBITORS AND USES THEREOF Vincere Biosciences, Inc. (US) 2022-07-20 EP 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
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 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 (7 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 ALDH1A1 1798/4885RECQL 1560/4885CYP1A2 792/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ALDH1A1 1798/4885RECQL 1560/4885CYP1A2 792/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL ALDH1A1 2252/4885RECQL 1715/4885CYP1A2 2410/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ALDH1A1 1798/4885RECQL 1560/4885CYP1A2 792/4885
US-11845724-B2 USP30 inhibitors and uses thereof USP30, USP28, USP1 ALDH1A1 2021/4885RECQL 1217/4885CYP1A2 3724/4885
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 ALDH1A1 2021/4885RECQL 1217/4885CYP1A2 3724/4885
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 ALDH1A1 2021/4885RECQL 1217/4885CYP1A2 3724/4885

“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.