SCHEMBL6413429

SCHEMBL6413429

CC(CC(=O)O)CC(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
USP5 P45974 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HDAC4 P56524 1/20 0.41
PRCP P42785 1/20 0.41
MMP2 P08253 1/20 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
SCHEMBL4427532 0.81 USP5 (0.66) SIGMAR1USP5HDAC6DRD2USP2
SCHEMBL4659847 0.81 SIGMAR1 (0.47) RAD52SIGMAR1USP5HDAC6DRD2
SCHEMBL15801111 0.78 NPC1 (0.54) SIGMAR1USP2ALDH1A1LMNAKMT2A
SCHEMBL5254053 0.78 USP2 (0.64) SIGMAR1USP2ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL6132927 0.75 USP2 (0.60) SIGMAR1USP2ALDH1A1LMNAGAA
SCHEMBL4556063 0.75 HDAC1 (0.62) SIGMAR1USP5HDAC6DRD2ALDH1A1
SCHEMBL6134737 0.74 USP2 (0.59) SIGMAR1USP2ALDH1A1LMNAKMT2A
SCHEMBL6132664 0.73 ALDH1A1 (0.56) USP2ALDH1A1LMNAGAAKMT2A
SCHEMBL7417928 0.72 USP5 (0.49) SIGMAR1USP5HDAC6DRD2USP2
SCHEMBL27576554 0.72 USP5 (0.49) SIGMAR1USP5HDAC6DRD2USP2

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
EP-0876343-B1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2002-03-13 EP claimed
US-6008220-A A GELATINASE A INHIBITOR FOR TREATING MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING, CANCER WARNER LAMBERT COMPANY (US) 1999-12-28 US claimed
EP-0876343-A1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-11-11 EP claimed
WO-1997023459-A1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-1366765-A1 Use of matrix metalloproteinase inhibitors for treating neurological disorders and promoting wound healing WARNER-LAMBERT COMPANY LLC (US) 2003-12-03 EP disclosed
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
EP-0876343-B1 AROMATIC KETO-ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2002-03-13 EP disclosed
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US disclosed
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
US-6008220-A A GELATINASE A INHIBITOR FOR TREATING MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING, CANCER WARNER LAMBERT COMPANY (US) 1999-12-28 US disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 RAD52 4683/4885SIGMAR1 4689/4885USP5 2810/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 RAD52 4683/4885SIGMAR1 4689/4885USP5 2810/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 RAD52 4683/4885SIGMAR1 4689/4885USP5 2810/4885

“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.