SCHEMBL6465852

SCHEMBL6465852

CC(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.68
ACE P12821 10/20 0.68
CPA1 P15085 2/20 0.68
ACE2 Q9BYF1 2/20 0.68
FOLH1 Q04609 1/20 0.67
NAALAD2 Q9Y3Q0 1/20 0.58

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
SCHEMBL7616915 1.00 MME (0.68) MMEACECPA1ACE2FOLH1
SCHEMBL24821176 0.89 MME (0.67) MMEACECPA1ACE2FOLH1
SCHEMBL4572624 0.89 MME (0.67) MMEACECPA1ACE2FOLH1
SCHEMBL10425350 0.89 MME (0.67) MMEACECPA1ACE2FOLH1
SCHEMBL8522309 0.88 ACE (0.76) MMEACECPA1ACE2FOLH1
SCHEMBL10424762 0.88 MME (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL2493049 0.88 ACE (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL2545591 0.88 ACE (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL16481670 0.88 ACE (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL4073351 0.88 ACE (0.65) MMEACECPA1ACE2FOLH1

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-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-6916800-B2 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent PFIZER INC (US) 2005-07-12 US disclosed
US-6858598-B1 Method of using a matrix metalloproteinase inhibitor and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia G. D. SEARLE & CO. (US) 2005-02-22 US disclosed
US-6833373-B1 N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl) -amino)-benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-b-alanine and tamoxifen; breast cancer G.D. SEARLE & CO. 2004-12-21 US disclosed
EP-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 MME 4324/4885ACE 2448/4885CPA1 1494/4885

“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.