SCHEMBL14757

SCHEMBL14757

O=C1NC(=S)S/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 1.00
GSK3B P49841 4/20 0.80
XDH P47989 1/20 0.79
MMP13 P45452 3/20 0.76
ADAMTS5 Q9UNA0 2/20 0.76
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
CNR1 P21554 1/20 0.59
MMP3 P08254 2/20 0.58
HPGD P15428 2/20 0.57
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
NAT1 P18440 1/20 0.56

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
SCHEMBL17576954 0.90 IDH1 (0.82) IDH1GSK3BXDHMMP13ADAMTS5
SCHEMBL18504345 0.90 IDH1 (0.81) IDH1GSK3BXDHMMP13ADAMTS5
SCHEMBL18067420 0.86 IDH1 (0.76) IDH1GSK3BXDHMMP13ADAMTS5
SCHEMBL1249082 0.86 ADAMTS5 (1.00) IDH1GSK3BMMP13ADAMTS5CNR1
SCHEMBL12891797 0.86 ADAMTS5 (1.00) IDH1GSK3BMMP13ADAMTS5CNR1
SCHEMBL1249080 0.86 ADAMTS5 (1.00) IDH1GSK3BMMP13ADAMTS5CNR1
SCHEMBL20976492 0.83 ADAMTS5 (0.74) IDH1GSK3BXDHMMP13ADAMTS5
SCHEMBL21538213 0.83 ADAMTS5 (0.77) IDH1GSK3BMMP13ADAMTS5CNR1
SCHEMBL7972192 0.83 ADAMTS5 (0.77) IDH1GSK3BMMP13ADAMTS5CNR1
SCHEMBL20976496 0.83 ADAMTS5 (0.77) IDH1GSK3BXDHMMP13ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC (US) 2024-02-29 US disclosed
US-20170325708-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-9434979-B2 Methods and compositions for cell-proliferation-related disorders SERVIER PHARMACEUTICALS LLC 2016-09-06 US disclosed
US-20150240286-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC (US) 2015-08-27 US disclosed
US-20140187435-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC (US) 2014-07-03 US disclosed
US-20130288284-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2013-10-31 US disclosed
US-20130183281-A1 METHODS AND COMPOSITONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2013-07-18 US disclosed
US-20120121515-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2012-05-17 US disclosed
WO-2011050210-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed
WO-2010105243-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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-20170325708-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 IDH1 300/4885GSK3B 3263/4885XDH 1989/4885
US-20120121515-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 IDH1 300/4885GSK3B 3263/4885XDH 1989/4885
US-20240071588-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS MKI67, BRCA1, CLN6 IDH1 300/4885GSK3B 3263/4885XDH 1989/4885
US-20130183281-A1 METHODS AND COMPOSITONS FOR CELL-PROLIFERATION-RELATED DISORDERS IDH2, IDH1, MKI67 IDH1 2/4885GSK3B 1267/4885XDH 2818/4885

“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.