SCHEMBL614652

SCHEMBL614652

CC[C@@](O)(CCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 14/20 0.57
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43

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
SCHEMBL3386585 1.00 SLC13A5 (0.57) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL614651 1.00 SLC13A5 (0.57) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL7867489 0.89 KMT2A (0.55) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL20176095 0.84 SLC13A5 (0.45) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL21239969 0.82 SLC13A5 (0.62) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL21239968 0.82 SLC13A5 (0.62) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL687447 0.81 SMN1; SMN2 (0.52) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL7908936 0.81 SMN1; SMN2 (0.52) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL7908766 0.81 SMN1; SMN2 (0.52) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL585945 0.79 ALDH1A1 (0.47) SLC13A5LMNAKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1762625-B1 Reductase gene and use thereof SUMITOMO CHEMICAL CO (JP) 2009-07-15 EP claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (2 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC13A5 3074/4885LMNA 981/4885KMT2A 2853/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE SLC13A5 2321/4885LMNA 1707/4885KMT2A 4623/4885

“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.