SCHEMBL5365745

SCHEMBL5365745

NC(=O)CC(=S)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
PARP1 P09874 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
CES1 P23141 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9538229 0.82 CES1 (0.52) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL730326 0.81 POLB (0.48) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL25667317 0.80 KMT2A (0.70) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL8901836 0.78 CES1 (0.48) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL1200893 0.77 CYP3A4 (0.73) ALDH1A1CYP3A4MAPTTDP1TSHR
Benzamide SCHEMBL2108537 0.77 CYP3A4 (0.76) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL11406965 0.77 CES1 (0.46) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL28235422 0.77 POLB (0.45) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL8599336 0.76 CYP3A4 (0.70) ALDH1A1CYP3A4MAPTTDP1TSHR
SCHEMBL27579430 0.74 MAOA (0.55) ALDH1A1CYP3A4MAPTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410250-C Novel spiroheterocyclic compoundsus reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMA (US) 2008-08-13 CN disclosed
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 US disclosed
US-7056915-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-6982272-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed
US-6858623-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-22 US disclosed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-6787540-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-07 US disclosed
US-6756372-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, CROHN'S DISEASE, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, PSORIASIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-11-20 US disclosed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP disclosed
US-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US disclosed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 WO disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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 (5 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-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 2061/4885CYP3A4 3536/4885MAPT 4402/4885
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 3667/4885CYP3A4 1938/4885MAPT 4853/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 1811/4885CYP3A4 3508/4885MAPT 4375/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 1878/4885CYP3A4 3508/4885MAPT 4391/4885
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 3685/4885CYP3A4 2684/4885MAPT 4849/4885

“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.