SCHEMBL16554145

SCHEMBL16554145

COc1ccc2nc(NC(=O)c3ccc(C(=O)O)cc3)sc2c1

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.88
KMT2A Q03164 4/20 0.88
MEN1 O00255 3/20 0.88
NPC1 O15118 3/20 0.88
RAB9A P51151 3/20 0.88
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TDP1 Q9NUW8 1/20 0.71

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
SCHEMBL31243 0.94 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4912951 0.91 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4920310 0.90 SCD (0.88) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4919654 0.90 SCD (0.88) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL2753553 0.90 SCD (0.93) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4913650 0.90 SCD (0.88) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL16681363 0.90 SCD (0.88) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4917823 0.90 SCD (0.87) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL16554160 0.90 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4918742 0.89 SCD (0.86) SCDKMT2AMEN1NPC1RAB9A

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 9 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-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-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
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
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
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 SCD 4/4885KMT2A 1976/4885MEN1 4719/4885

“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.