SCHEMBL1176985

SCHEMBL1176985

COC(=O)[C@@H](CC(=O)O)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
MMP2 P08253 4/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
LMNA P02545 1/20 0.40
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
CTSK P43235 4/20 0.39
CTSD P07339 1/20 0.39
TSHR P16473 1/20 0.38
FFAR2 O15552 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
ATM Q13315 1/20 0.36
CTSS P25774 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL1176986 1.00 LTA4H (0.46) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL390537 1.00 LTA4H (0.46) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL564014 0.91 KMT2A (0.39) LTA4HMMP2MMP9MMP12MMP1
SCHEMBL27792200 0.84 LTA4H (0.47) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL14686379 0.82 MMP2 (0.44) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL4244240 0.81 ALDH1A1 (0.41) LTA4HCTSKCTSDTSHRALDH1A1
SCHEMBL2856572 0.80 MMP2 (0.50) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL9208253 0.80 MMP2 (0.50) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL389670 0.80 ALDH1A1 (0.40) LTA4HCTSKTSHRALDH1A1KMT2A
SCHEMBL389669 0.80 ALDH1A1 (0.40) LTA4HCTSKTSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394823-B2 Triazolopyridine compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110034506-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 US disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
WO-2009126861-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 WO disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-1992009565-A1 PEPTIDYL DERIVATIVES CELLTECH LIMITED (GB) 1992-06-11 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 (6 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ LTA4H 835/4885MMP2 101/4885MMP9 254/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 LTA4H 824/4885MMP2 77/4885MMP9 253/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV LTA4H 2174/4885MMP2 209/4885MMP9 173/4885
US-20110034506-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 LTA4H 3291/4885MMP2 2358/4885MMP9 2814/4885
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 LTA4H 1345/4885MMP2 158/4885MMP9 1095/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 LTA4H 1345/4885MMP2 158/4885MMP9 1095/4885

“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.