Sugi Predict

Sugi Predict / Compounds / SCHEMBL5357063

SCHEMBL5357063

SCHEMBL5357063

CC(=O)C(N)c1ccc(C(=O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.56
▸ TDP1 Q9NUW8 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ GRM8 O00222 1/20 0.56
▸ GRM6 O15303 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ GRM4 Q14833 1/20 0.56
▸ GRM1 Q13255 7/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ GRM2 Q14416 2/20 0.53
▸ CYP1A2 P05177 1/20 0.44
▸ RXRB P28702 2/20 0.41

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
SCHEMBL21932509 0.84 HSD17B10 (0.49) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL20768653 0.84 HSD17B10 (0.49) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL4564590 0.84 HSD17B10 (0.49) HSD17B10TDP1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL987297 0.82 HSD17B10 (0.47) HSD17B10TDP1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL14480041 0.82 HSD17B10 (0.47) HSD17B10TDP1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL987298 0.82 HSD17B10 (0.47) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL1598222 0.81 RXRB (0.46) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL2627845 0.79 TRPA1 (0.48) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL29054016 0.79 HSD17B10 (0.45) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL29054018 0.79 HSD17B10 (0.45) HSD17B10TDP1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 — — US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 — — EP 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-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 HSD17B10 2161/4885TDP1 3246/4885MEN1 3507/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB HSD17B10 2219/4885TDP1 2947/4885MEN1 3318/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB HSD17B10 2219/4885TDP1 2947/4885MEN1 3318/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB HSD17B10 2151/4885TDP1 3492/4885MEN1 3625/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB HSD17B10 2219/4885TDP1 2947/4885MEN1 3318/4885

“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.