SCHEMBL16554007

SCHEMBL16554007

O=S(=O)(Nc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ USP2 O75604 1/20 0.59
▸ USP8 P40818 1/20 0.59
▸ STAT3 P40763 1/20 0.58
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ PIK3CG P48736 1/20 0.53
▸ KDM1A O60341 1/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ ALOX15 P16050 1/20 0.51

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
SCHEMBL617744 0.84 ALDH1A1 (0.72) ALDH1A1STAT3MEN1KMT2AHTT
SCHEMBL19771115 0.82 ALDH1A1 (0.74) ALDH1A1STAT3MEN1KMT2AHTT
SCHEMBL16634465 0.82 ALDH1A1 (0.70) ALDH1A1STAT3MEN1KMT2AHTT
SCHEMBL16553986 0.80 MEN1 (0.71) ALDH1A1STAT3MEN1KMT2AHTT
SCHEMBL10338113 0.80 MEN1 (0.56) ALDH1A1USP2MEN1KMT2AMAPK1
SCHEMBL16634461 0.79 PTPN1 (0.70) ALDH1A1STAT3MEN1KMT2AHTT
SCHEMBL4843137 0.76 PIK3CG (0.76) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL8056880 0.76 PTPN1 (0.67) MEN1KMT2AKDM1A
SCHEMBL25140530 0.76 USP2 (1.00) USP2USP8KDM1A
SCHEMBL31134958 0.76 USP2 (0.84) ALDH1A1USP2USP8MEN1KMT2A

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 ALDH1A1 88/4885USP2 1482/4885USP8 3247/4885

“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.

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