SCHEMBL2754182

SCHEMBL2754182

CC/C=C/Cc1cc2c(C(=O)O)c(O)c(O)c(CCC)c2cc1C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 12/20 0.71
LDHB P07195 11/20 0.71
ALB P02768 1/20 0.39
PTPN1 P18031 3/20 0.36
PTPN11 Q06124 2/20 0.36
PTPN2 P17706 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TRPM7 Q96QT4 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL235873 0.84 LDHA (1.00) LDHALDHBALBPTPN1PTPN11
SCHEMBL233361 0.81 LDHA (1.00) LDHALDHBPTPN1PTPN2
SCHEMBL30417934 0.81 LDHA (1.00) LDHALDHBPTPN1PTPN2
SCHEMBL7179530 0.79 LDHA (0.87) LDHALDHBALB
SCHEMBL7187931 0.79 LDHA (0.87) LDHALDHBALB
SCHEMBL7185727 0.74 LDHA (0.78) LDHALDHBPPARGPPARA
SCHEMBL7174623 0.72 LDHA (1.00) LDHALDHBALBPTPN1PTPN11
SCHEMBL15322250 0.71 LDHA (0.82) LDHALDHBPTPN1PTPN2
SCHEMBL15841763 0.65 LDHA (0.59) LDHALDHBPTPN1PTPN11PTPN2
SCHEMBL7186222 0.64 LDHA (0.62) LDHALDHBPTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003156-A1 METHODS FOR TREATING NEOPLASIA BY INHIBITING LACTATE DEHYDROGENASE AND/OR NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-05 US disclosed
US-20120003156-A1 METHODS FOR TREATING NEOPLASIA BY INHIBITING LACTATE DEHYDROGENASE AND/OR NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-05 US disclosed
WO-2010002465-A2 METHODS FOR TREATING NEOPLASIA BY INHIBITING LACTATE DEHYDROGENASE AND/OR NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE THE JOHNS HOPKINS UNIVERSITY (US) 2010-01-07 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-20120003156-A1 METHODS FOR TREATING NEOPLASIA BY INHIBITING LACTATE DEHYDROGENASE AND/OR NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT LDHA 9/4885LDHB 6/4885ALB 4628/4885

“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.