SCHEMBL16477690

SCHEMBL16477690

CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.77
HTT P42858 1/20 0.65
PDK1 Q15118 1/20 0.61
TRPV1 Q8NER1 5/20 0.60
CA9 Q16790 4/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CNR2 P34972 1/20 0.56
AR P10275 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
SCHEMBL118026 0.88 KDR (1.00) KDRPDK1TRPV1CA9CA1
SCHEMBL29364392 0.88 KDR (1.00) KDRPDK1TRPV1CA9CA1
SCHEMBL13945722 0.86 KDR (0.78) KDRPDK1TRPV1CA9CA1
SCHEMBL11087744 0.85 KDR (0.68) KDRPDK1TRPV1CA9CA1
SCHEMBL12413876 0.85 KDR (0.82) KDRPDK1TRPV1CA9CA1
SCHEMBL16884951 0.84 AR (0.57) KDRHTTCA9AR
SCHEMBL4548158 0.83 KDR (0.90) KDRHTTPDK1TRPV1CA9
SCHEMBL3644352 0.83 KDR (0.84) KDRHTTPDK1TRPV1CA9
SCHEMBL12387674 0.83 KDR (0.78) KDRHTTPDK1TRPV1CA9
SCHEMBL13004799 0.82 KDR (0.82) KDRHTTPDK1TRPV1CA9

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-10793527-B2 Adenosine monophosphate-activated protein kinase agonist NATIONAL YANG-MING UNIVERSITY (TW) 2020-10-06 US disclosed
US-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST NATIONAL YANG-MING UNIVERSITY (TW) 2019-06-27 US disclosed
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9090617-B1 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-28 US disclosed
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME RAND BIOSCIENCES (KR) 2015-07-09 US disclosed
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2014-07-17 US 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-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 KDR 1107/4885HTT 3607/4885PDK1 2591/4885
US-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST PRKAG1, PRKAG2, PRKAB1 KDR 1064/4885HTT 4814/4885PDK1 90/4885
US-10793527-B2 Adenosine monophosphate-activated protein kinase agonist PRKAG1, PRKAG2, PRKAB1 KDR 851/4885HTT 4831/4885PDK1 100/4885
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 KDR 1107/4885HTT 3607/4885PDK1 2591/4885

“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.