SCHEMBL15077976

SCHEMBL15077976

O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.76
GAA P10253 5/20 0.62
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.62
KMT2A Q03164 3/20 0.60
GLA P06280 1/20 0.60
TSHR P16473 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 2/20 0.57
UBE2N P61088 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
SCHEMBL12453045 0.80 MEN1 (0.70) GAAALDH1A1HTTKMT2ATSHR
SCHEMBL31195203 0.75 L3MBTL1 (0.72) GAAALDH1A1KMT2AMAPT
SCHEMBL5237448 0.74 HPGD (1.00) MAPK1GAAALDH1A1HTTKMT2A
SCHEMBL11624141 0.73 KMT2A (0.83) MAPK1GAAALDH1A1HTTKMT2A
SCHEMBL11626214 0.71 HPGD (0.73) MAPK1GAAALDH1A1HTTKMT2A
SCHEMBL4123540 0.71 L3MBTL1 (1.00) MAPK1ALDH1A1KMT2AHPGDMAPT
SCHEMBL12793423 0.71 L3MBTL1 (0.69) ALDH1A1KMT2AHPGDMAPT
SCHEMBL14198603 0.71 KMT2A (0.79) GAAALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL11621200 0.70 KMT2A (0.76) MAPK1ALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL19990364 0.70 KDM4E (0.72) GAAALDH1A1KMT2ARXFP1SMN1; SMN2

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
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-08-27 US disclosed
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-06-23 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
WO-2013096820-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-06-27 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-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 MAPK1 1781/4885GAA 1980/4885ALDH1A1 3045/4885
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 MAPK1 1781/4885GAA 1980/4885ALDH1A1 3045/4885
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 MAPK1 1781/4885GAA 1980/4885ALDH1A1 3045/4885
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 MAPK1 1781/4885GAA 1980/4885ALDH1A1 3045/4885

“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.