SCHEMBL6831272

SCHEMBL6831272

CC(C)CNS(=O)(=O)CCCCl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.32
GRIA1 P42261 3/20 0.30

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
SCHEMBL6766970 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12194930 0.81 RELA (0.39) CA12CA7CA9CA14ALDH1A1
SCHEMBL17771175 0.81 ALDH1A1 (0.34) CA12CA7CA9CA14ALDH1A1
SCHEMBL5547021 0.80 MEN1 (0.36) ALDH1A1
SCHEMBL9660903 0.79 RELA (0.45) CA12CA7CA14
SCHEMBL12137065 0.79 CA12 (0.33) CA12CA7CA9CA14ALDH1A1
SCHEMBL23905111 0.78 RELA (0.47)
SCHEMBL12194986 0.78 RELA (0.47)
SCHEMBL13398957 0.78 RELA (0.47)
SCHEMBL19996799 0.76 CA12 (0.36) CA12CA7CA9CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743923-B2 A BENZYLIDENE DERIVATIVES USED FOR OSTEOCLAST FORMATION INHIBITION, A NITROGEN MONOXIDE PRODUCTION INHIBITION, AND A TRANSCRIPTION FACTOR NF KAPPA B SUPRESSING AGENT SHIONOGI & CO., LTD. (JP) 2004-06-01 US disclosed
CN-1127492-C Antirheumatic SHIONOJI & CO LTD (JP) 2003-11-12 CN disclosed
US-20030125364-A1 Antirheumatic agent MATSUMOTO SAICHI (JP) 2003-07-03 US disclosed
US-6525081-B1 Inhibiting osteoclast formation and nitrogen monoxide production; suppressing transcription factor NF kappa B SHIONOGI & CO., LTD. (JP) 2003-02-25 US disclosed
CN-1283194-A Antirheumatic SHIONOJI & CO LTD (JP) 2001-02-07 CN disclosed
EP-1026162-A1 ANTIRHEUMATIC SHIONOGI & CO., LTD. (JP) 2000-08-09 EP disclosed
CN-1035614-C Benzylidene derivatives SHIONOGI & CO (JP) 1997-08-13 CN disclosed
EP-0595546-B1 Benzylidene derivatives SHIONOGI & CO (JP) 1996-03-20 EP disclosed
US-5418230-A Antiinflammatory SHIONOGI & CO., LTD. (JP) 1995-05-23 US disclosed
CN-1092414-A Benzylidene derivatives SHIONOGI & CO (JP) 1994-09-21 CN disclosed
EP-0595546-A1 Benzylidene derivatives SHIONOGI & CO., LTD. (JP) 1994-05-04 EP 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-20030125364-A1 Antirheumatic agent IL1A, IL1B, IL17A CA12 697/4885CA7 958/4885CA9 1615/4885

“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.