SCHEMBL1504829

SCHEMBL1504829

Cc1cc(COc2ccc(C(N)=O)cc2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.61
PARP10 Q53GL7 1/20 0.61
MMP2 P08253 3/20 0.60
MMP12 P39900 2/20 0.60
MMP3 P08254 1/20 0.59
MMP13 P45452 1/20 0.57

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
Trifluoroacetic Acid SCHEMBL7401974 0.93 ADAM17 (0.56) ADAM17PARP10MMP2MMP12MMP3
SCHEMBL1504715 0.90 ADAM17 (0.64) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL3968177 0.88 ADAM17 (0.61) ADAM17MMP2MMP12MMP3MMP13
Hydrochloric Acid SCHEMBL4053797 0.86 ADAM17 (0.60) ADAM17MMP2MMP12MMP13
SCHEMBL6212594 0.86 ADAM17 (0.63) ADAM17MMP2MMP12MMP3
SCHEMBL5887895 0.84 ADAM17 (0.61) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL6632245 0.84 ADAM17 (0.63) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL1504742 0.83 MMP2 (0.58) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL1364646 0.83 ADAM17 (0.60) ADAM17MMP2MMP12MMP3MMP13
SCHEMBL8353322 0.83 ADAM17 (0.62) ADAM17MMP2MMP12MMP3MMP13

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP claimed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO claimed
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed
US-20050256176-A1 Sulphonamide derivatives and their use as tace inhibitors ASTAZENECA AB (SE) 2005-11-17 US disclosed
EP-1539740-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 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 (2 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-20050256176-A1 Sulphonamide derivatives and their use as tace inhibitors ADAM10, ADAM17, TNF ADAM17 2/4885PARP10 3099/4885MMP2 38/4885
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 ADAM17 1/4885PARP10 2200/4885MMP2 16/4885

“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.