SCHEMBL1176986

SCHEMBL1176986

COC(=O)C(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
SCHEMBL1176985 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
EP-1975170-B9 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-11-02 EP disclosed
EP-1975170-B9 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-11-02 EP disclosed
EP-2376427-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND Theravance, Inc. (US) 2011-10-19 EP disclosed
US-7935841-B2 Bisphospholanes for use as catalysts in asymmetric reactions DR. REDDY'S LABORATORIES LIMITED (IN) 2011-05-03 US disclosed
US-7935841-B2 Bisphospholanes for use as catalysts in asymmetric reactions DR. REDDY'S LABORATORIES LIMITED (IN) 2011-05-03 US disclosed
US-7935841-B2 Bisphospholanes for use as catalysts in asymmetric reactions DR. REDDY'S LABORATORIES LIMITED (IN) 2011-05-03 US disclosed
EP-1975170-B1 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-03-09 EP disclosed
EP-1975170-B1 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-03-09 EP disclosed
US-20110034506-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 US disclosed
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 LTA4H 1757/4885MMP2 112/4885MMP9 604/4885
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 LTA4H 1318/4885MMP2 85/4885MMP9 219/4885
US-20110034506-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 LTA4H 3291/4885MMP2 2358/4885MMP9 2814/4885

“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.