SCHEMBL235873

SCHEMBL235873

CCCc1c(O)c(O)c(C(=O)O)c2cc(C)c(C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 15/20 1.00
LDHB P07195 14/20 1.00
ALB P02768 3/20 0.48
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
JUN P05412 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL233361 0.84 LDHA (1.00) LDHALDHBPTPN1
SCHEMBL2754182 0.84 LDHA (0.71) LDHALDHBALBPTPN1PTPN11
SCHEMBL30417934 0.84 LDHA (1.00) LDHALDHBPTPN1
SCHEMBL7174623 0.83 LDHA (1.00) LDHALDHBALBPTPN1PTPN11
SCHEMBL7179530 0.82 LDHA (0.87) LDHALDHBALB
SCHEMBL7187931 0.82 LDHA (0.87) LDHALDHBALB
SCHEMBL7185727 0.78 LDHA (0.78) LDHALDHB
SCHEMBL7186222 0.77 LDHA (0.62) LDHALDHBPTPN1PTPN11
SCHEMBL7183958 0.75 LDHA (1.00) LDHALDHBALBCYP3A4ACHE
SCHEMBL15841763 0.75 LDHA (0.59) LDHALDHBPTPN1PTPN11JUN

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 9 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
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
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
EP-0980350-A4 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES UNIV NEW MEXICO (US) 2003-01-02 EP disclosed
US-6124498-A Hydroxynaphthoic acids and derivatives UNIVERSITY OF NEW MEXICO (US) 2000-09-26 US disclosed
EP-0980350-A2 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES The University of New Mexico (US) 2000-02-23 EP disclosed
WO-1998049130-A2 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES THE UNIVERSITY OF NEW MEXICO (US) 1998-11-05 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.