SCHEMBL6421340

SCHEMBL6421340

CC(C)CC(CC(=NO)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
BCAT1 P54687 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
MCHR1 Q99705 1/20 0.39
IDO1 P14902 1/20 0.37
ECE1 P42892 1/20 0.36
NPY5R Q15761 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL6421339 1.00 TTR (0.41) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6413385 0.83 MMP12 (0.44) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6413380 0.83 MMP12 (0.44) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6411675 0.82 LMNA (0.42) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6411680 0.82 LMNA (0.42) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6412986 0.82 GRIK1 (0.41) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6412989 0.82 GRIK1 (0.41) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6418959 0.80 BCAT1 (0.41) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6418962 0.80 BCAT1 (0.41) TTRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6418854 0.78 BCAT1 (0.41) TTRCYP1A2CYP2C19MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828726-B1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2001-10-04 EP claimed
EP-0828726-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP claimed
US-5665764-A FOR TREATING DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT COMPANY (US) 1997-09-09 US claimed
WO-1996038434-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1996-12-05 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-0828726-B1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2001-10-04 EP 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
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
EP-0828726-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5665764-A FOR TREATING DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT COMPANY (US) 1997-09-09 US disclosed
WO-1996038434-A1 TRICYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1996-12-05 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 TTR 1627/4885NPC1 290/4885RAB9A 1279/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 TTR 1627/4885NPC1 290/4885RAB9A 1279/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 TTR 1627/4885NPC1 290/4885RAB9A 1279/4885

“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.