SCHEMBL7415792

SCHEMBL7415792

CC(C(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.61
SLC1A2 P43004 1/20 0.61
SLC1A1 P43005 1/20 0.61
CYP1A2 P05177 1/20 0.55
ACE P12821 7/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 1/20 0.50
CPA1 P15085 2/20 0.48
CPA3 P15088 2/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 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
SCHEMBL14540327 1.00 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1CYP1A2ACE
SCHEMBL5511480 0.86 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1CYP1A2ACE
SCHEMBL883357 0.86 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1CYP1A2ACE
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL4755513 0.85 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ACE
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL7289849 0.85 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ACE
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL2919214 0.85 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ACE
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL305323 0.85 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ACE
SCHEMBL24252143 0.84 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1CYP1A2ACE
SCHEMBL8333821 0.84 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1CYP1A2ACE
SCHEMBL5708390 0.84 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1CYP1A2ACE

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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-5039664-A Hypotensive agent MERCK & CO., INC. (US) 1991-08-13 US disclosed
US-5037807-A Hypotensive agents; for treatment of congestive heart failure MERCK & CO., INC. (US) 1991-08-06 US disclosed
US-4839357-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE MERCK & CO., INC. (US) 1989-06-13 US disclosed
EP-0278158-A2 Renin inhibitors containing phenylalanyl-histidine replacements MERCK & CO. INC. (US) 1988-08-17 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-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 SLC1A3 4773/4885SLC1A2 4692/4885SLC1A1 4683/4885

“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.