SCHEMBL896864

SCHEMBL896864

NC(=S)c1ccc(O)c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
HDAC1 Q13547 1/20 0.42
PIK3CA P42336 4/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
RAD52 P43351 1/20 0.35
TERT O14746 1/20 0.35
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 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
SCHEMBL11097025 0.83 ALDH1A1 (0.50) ALDH1A1HPGDTERTMAPTHSD17B10
SCHEMBL7032709 0.75 SELL (0.50) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL924425 0.75 SELL (0.62) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL1699097 0.71 SELL (0.46) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL18732063 0.71 SELL (0.46) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL18732057 0.71 SELL (0.46) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL29373601 0.71 ALDH1A1 (0.57) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL338346 0.71 ALDH1A1 (0.57) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL3333046 0.70 SELL (0.64) SELLSELPHDAC1PIK3CAALDH1A1
SCHEMBL17459215 0.70 SELL (0.45) SELLSELPHDAC1PIK3CAALDH1A1

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
EP-2125712-B1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF NOVOTYR THERAPEUTICS LTD (IL) 2014-07-23 EP disclosed
US-20120083528-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF NOVOTYR THERAPEUTICS LTD. (IL) 2012-04-05 US disclosed
US-8058309-B2 Protein kinase modulators and therapeutic uses thereof NOVOTYR THERAPEUTICS LTD. (IL) 2011-11-15 US disclosed
US-20100056635-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-03-04 US disclosed
EP-2125712-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF Novotyr Therapeutics Ltd. (IL) 2009-12-02 EP disclosed
WO-2008068751-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF NOVOTYR THERAPEUTICS LTD. (IL) 2008-06-12 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-20120083528-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF PTK2B, LTK, MAP3K20 SELL 3563/4885SELP 2780/4885HDAC1 2475/4885
US-20100056635-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF PTK2B, LTK, FRK SELL 3271/4885SELP 2549/4885HDAC1 2568/4885

“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.