SCHEMBL13077892

SCHEMBL13077892

CC(C)(C)C(=O)c1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
LMNA P02545 1/20 0.65
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
RECQL P46063 2/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL24961123 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL18649489 0.83 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL569032 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL193533 0.80 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL6319718 0.80 ALDH1A1 (0.66) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL6275655 0.79 ALDH1A1 (1.00) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL24960936 0.79 DYRK1A (0.52) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL2170056 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL836745 0.78 SMN1; SMN2 (0.65) ALDH1A1L3MBTL1LMNAALOX15TSHR
SCHEMBL28727291 0.78 SMN1; SMN2 (0.65) ALDH1A1L3MBTL1LMNAALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322668-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2023-10-12 US disclosed
US-20230322668-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACEA Therapeutics, Inc. (US) 2023-10-12 US disclosed
US-11760722-B2 Inhibitors of cysteine proteases and methods of use thereof ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-09-19 US disclosed
US-11753373-B2 Protease inhibitors as antivirals ACEA Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-11753373-B2 Protease inhibitors as antivirals ACEA Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-07-27 US disclosed
US-20230159451-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159451-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-05-25 US disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 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 (12 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-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF SERPINB1, CTSV, CTSE ALDH1A1 2826/4885L3MBTL1 1893/4885LMNA 2364/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885L3MBTL1 487/4885LMNA 1670/4885
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 ALDH1A1 2044/4885L3MBTL1 1699/4885LMNA 1649/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD ALDH1A1 4859/4885L3MBTL1 1643/4885LMNA 3070/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885L3MBTL1 688/4885LMNA 1174/4885
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ALDH1A1 2015/4885L3MBTL1 1764/4885LMNA 1651/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885L3MBTL1 688/4885LMNA 1174/4885
US-11753373-B2 Protease inhibitors as antivirals ACE, ACE2, TMPRSS15 ALDH1A1 3270/4885L3MBTL1 1099/4885LMNA 1247/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885L3MBTL1 688/4885LMNA 1174/4885
US-20230322668-A1 PROTEASE INHIBITORS AS ANTIVIRALS ACE, ACE2, TMPRSS15 ALDH1A1 3270/4885L3MBTL1 1099/4885LMNA 1247/4885
US-20230159451-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF SERPINB1, CTSV, CTSE ALDH1A1 2826/4885L3MBTL1 1893/4885LMNA 2364/4885
US-11760722-B2 Inhibitors of cysteine proteases and methods of use thereof SERPINB1, PREP, DNPEP ALDH1A1 1556/4885L3MBTL1 2310/4885LMNA 2160/4885

“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.