SCHEMBL16554101

SCHEMBL16554101

COC(=O)c1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
HSD17B1 P14061 4/20 0.70
SCD O00767 7/20 0.69
HSD17B2 P37059 3/20 0.67
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
PIK3CA P42336 1/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
DYRK1A Q13627 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
HSP90AA1 P07900 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL31024 0.90 HSD17B1 (0.82) HSD17B1SCDHSD17B2NPC1RAB9A
SCHEMBL31055 0.89 SCD (0.84) HSD17B1SCDHSD17B2NPC1RAB9A
SCHEMBL13329360 0.87 HSD17B1 (0.74) HSD17B1SCDHSD17B2NPC1RAB9A
SCHEMBL4912185 0.86 SCD (0.73) HTTSCDNPC1RAB9AMEN1
SCHEMBL4919654 0.86 SCD (0.88) HTTSCDNPC1RAB9AMEN1
SCHEMBL16554035 0.86 HSD17B1 (0.76) HSD17B1SCDHSD17B2NPC1RAB9A
SCHEMBL14807016 0.85 SCD (0.77) HTTSCDNPC1RAB9AMEN1
SCHEMBL12225869 0.85 HSD17B1 (0.74) HSD17B1SCDHSD17B2NPC1RAB9A
SCHEMBL12199347 0.85 HSD17B1 (0.76) HTTHSD17B1SCDHSD17B2NPC1
SCHEMBL19464560 0.85 HSD17B1 (0.74) HSD17B1SCDHSD17B2NPC1RAB9A

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-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
EP-3041470-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY Board Of Regents Of the University Of Texas System (US) 2016-07-13 EP disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 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 (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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 HTT 4435/4885HSD17B1 71/4885SCD 4/4885

“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.