SCHEMBL10108460

SCHEMBL10108460

Cc1ccc(S(=O)(=O)Nc2nnc(OC(C)O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 1/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 8/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.44
POLB P06746 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
SCHEMBL10108452 0.89 ALDH1A1 (0.60) CA1CA2ALDH1A1HSD17B10PKM
SCHEMBL10108455 0.84 ALDH1A1 (0.61) CA1CA2ALDH1A1HSD17B10PKM
SCHEMBL11479937 0.82 RECQL (0.65) CA1CA2RECQLALDH1A1HSD17B10
SCHEMBL11893032 0.82 PKM (0.54) CA1CA2ALDH1A1HSD17B10PKM
SCHEMBL12829988 0.80 AKT1 (0.49) ALDH1A1PKM
SCHEMBL5398574 0.77 ALDH1A1 (0.73) CA1CA2RECQLALDH1A1HSD17B10
SCHEMBL11893082 0.76 ALDH1A1 (0.77) CA1CA2RECQLALDH1A1PKM
SCHEMBL10108458 0.76 AKT1 (0.53) ALDH1A1HSD17B10PKMLMNA
SCHEMBL5410329 0.75 ALDH1A1 (0.81) CA1CA2RECQLALDH1A1HSD17B10
SCHEMBL14582751 0.74 CA1 (0.65) CA1CA2RECQLALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. 2012-07-26 US disclosed
EP-2428504-A1 Small molecule inhibitors of the pleckstrin homology domain and method for using same The Board of Regents of the University of Texas System (US) 2012-03-14 EP disclosed
US-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-16 US disclosed
WO-2009129267-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 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-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC CA1 4268/4885CA2 3465/4885RECQL 1845/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 CA1 4338/4885CA2 3474/4885RECQL 815/4885

“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.