SCHEMBL6827337

SCHEMBL6827337

CCCC(Br)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.56
CTSL P07711 6/20 0.54
CTSS P25774 6/20 0.54
CTRB1 P17538 2/20 0.52
ATM Q13315 1/20 0.52
PRTN3 P24158 1/20 0.50
SYK P43405 1/20 0.50
CTSB P07858 3/20 0.49
ELANE P08246 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL9120121 0.90 CTSL (0.57) CTSKCTSLCTSS
SCHEMBL29796863 0.89 SIRT2 (0.57) CTSLCTSS
SCHEMBL8896054 0.88 SYK (0.55) CTSKCTSLCTSSCTRB1ATM
SCHEMBL19933193 0.85 CTRB1 (0.62) CTSKCTSLCTSSCTRB1ATM
SCHEMBL28629890 0.85 ATM (0.49) CTSKCTSLCTSSCTRB1ATM
SCHEMBL19569920 0.84 POLB (0.61) CTSKCTSLCTSSCTRB1ATM
SCHEMBL18324411 0.83 CTSK (0.52) CTSKCTSLCTSSCTRB1ATM
SCHEMBL29017864 0.83 CTRB1 (0.64) CTSKCTSLCTSSCTRB1ATM
SCHEMBL265783 0.82 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL22144261 0.82 CTSK (0.66) CTSKCTSLCTSSCTRB1CTSB

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-6737416-B2 THROMBOLYTIC AGENT HAVING HIGHER SAFETY MEIJI SEIKA KAISHA LTD. (JP) 2004-05-18 US disclosed
US-20030119787-A1 Phosphonic acid derivative having inhibitory activity against carboxypeptidase B MEIJI SEIKA KAISHA LTD. (JP) 2003-06-26 US disclosed
US-6576627-B1 Such as 7-amino-2-((2-methyl-1-(3-phenylpropanoylamino)-propyl)hydroxyphosphinoyl) -methylheptanoic acid; thrombotic disease MEIJI SEIKA KAISHA LTD. (JP) 2003-06-10 US disclosed
EP-1152004-B1 Phosphonic acid derivatives having carboxypeptidase B inhibitory action MEIJI SEIKA KAISHA (JP) 2003-05-07 EP disclosed
EP-1174434-A1 Phosphonic acid derivative having inhibitory activity against carboxypeptidase B MEIJI SEIKA KAISHA LTD. (JP) 2002-01-23 EP disclosed
EP-1152004-A1 PHOSPHONIC ACID DERIVATIVES HAVING CARBOXYPEPTIDASE B INHIBITORY ACTIVITY MEIJI SEIKA KAISHA LTD. (JP) 2001-11-07 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-20030119787-A1 Phosphonic acid derivative having inhibitory activity against carboxypeptidase B CPB1, RNPEP, CPN1 CTSK 368/4885CTSL 60/4885CTSS 198/4885

“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.