SCHEMBL6290787

SCHEMBL6290787

CCOC(=O)c1cnc2c(c(C)nn2Cc2ccccc2)c1NCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
PDE4B Q07343 3/20 0.46
LMNA P02545 2/20 0.46
ADORA1 P30542 4/20 0.46
KMT2A Q03164 1/20 0.45
NR3C1 P04150 3/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6293912 0.88 NR3C1 (0.50) POLBPDE4BLMNAADORA1KMT2A
SCHEMBL6290687 0.85 LMNA (0.56) POLBPDE4BLMNAKMT2ANR3C1
SCHEMBL6289510 0.84 PDE4B (0.48) POLBPDE4BLMNAADORA1KMT2A
SCHEMBL6290650 0.81 LMNA (0.49) POLBPDE4BLMNAADORA1KMT2A
SCHEMBL6290788 0.81 MMP1 (0.54) POLBLMNAADORA1KMT2ANR3C1
SCHEMBL6290579 0.76 MMP1 (0.53) POLBPDE4BLMNANR3C1PKM
SCHEMBL6293248 0.76 PDE4B (0.40) PDE4BLMNAADORA1KMT2APKM
SCHEMBL7008676 0.75 LMNA (0.66) POLBLMNAKMT2ANR3C1PKM
SCHEMBL6290603 0.75 PDE4B (0.47) POLBPDE4BLMNAADORA1PKM
SCHEMBL6289454 0.74 CA2 (0.43) PDE4BLMNAKMT2APKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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 (1 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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 POLB 971/4885PDE4B 3874/4885LMNA 2997/4885

“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.