SCHEMBL6414266

SCHEMBL6414266

CCC(C(=O)NC(CCS)C(=O)O)C(S)C(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.43
▸ HSPA5 P11021 4/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ ACE P12821 6/20 0.42
▸ CPA1 P15085 5/20 0.42
▸ ACE2 Q9BYF1 5/20 0.42
▸ CTSK P43235 1/20 0.40
▸ HSPA2 P54652 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL6414260 0.73 ELANE (0.41) MMEACECPA1ACE2CTSK
SCHEMBL8144685 0.69 HSPA5 (0.61) HSPA5HSPA2CYP2C9TSHRCYP2C19
SCHEMBL5875594 0.68 HSPA5 (0.49) MMEHSPA5CTSKCYP2C9TSHR
SCHEMBL81393 0.68 CYP2C9 (0.55) CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL11386076 0.67 RAB9A (0.54) HSPA5HSPA2CYP2C9TSHRCYP2C19
SCHEMBL9705400 0.67 RAB9A (0.54) HSPA5HSPA2CYP2C9TSHRCYP2C19
SCHEMBL9705401 0.67 RAB9A (0.54) HSPA5HSPA2CYP2C9TSHRCYP2C19
SCHEMBL11188356 0.66 ELANE (0.55) MMEACE
SCHEMBL11188353 0.66 ELANE (0.55) MMEACE
SCHEMBL11245259 0.65 CYP2C19 (0.53) CYP2D6CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557303-B1 N- (2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDEA RES SRL (IT) 1994-09-14 — — EP claimed
WO-1992008713-A1 N-[(2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDEA RESEARCH S.R.L. (IT) 1992-05-29 — — 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
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 — — US disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 — — EP disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 — — EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 — — EP 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
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
EP-0557303-B1 N- (2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDEA RES SRL (IT) 1994-09-14 — — EP disclosed
EP-0557303-B1 N- (2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDEA RES SRL (IT) 1994-09-14 — — EP disclosed
EP-0557303-A1 N- (2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT. MEDEA RES SRL (IT) 1993-09-01 — — EP disclosed
WO-1992008713-A1 N-[(2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MEDEA RESEARCH S.R.L. (IT) 1992-05-29 — — 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 MME 174/4885HSPA5 4205/4885MMP2 19/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MME 174/4885HSPA5 4205/4885MMP2 19/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MME 174/4885HSPA5 4205/4885MMP2 19/4885

“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.

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