SCHEMBL18300596

SCHEMBL18300596

CC(C)(C)OC(=O)NCc1c(F)cc(C(=N)NO)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
EPAS1 Q99814 1/20 0.38
EPHX2 P34913 1/20 0.36
SERPINE1 P05121 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
GLS O94925 1/20 0.36
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NAMPT P43490 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HDAC1 Q13547 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL18300159 0.85 KLKB1 (0.45) KDM4AEPHX2SERPINE1CACNA1HCACNA1B
SCHEMBL30739096 0.84 EPHX2 (0.47) KDM4AEPHX2GLSHDAC10HDAC6
SCHEMBL18300499 0.82 AAK1 (0.44) KDM4AEPAS1EPHX2SERPINE1CACNA1H
SCHEMBL31606951 0.80 KDM4A (0.44) KDM4AEPAS1EPHX2SERPINE1CACNA1H
SCHEMBL29726470 0.79 KDM4A (0.43) KDM4AEPAS1EPHX2SERPINE1CACNA1H
SCHEMBL30739219 0.79 GLS (0.40) KDM4AEPAS1CACNA1HCACNA1BCACNA1C
SCHEMBL18301318 0.79 HDAC6 (0.39) EPHX2HDAC6HDAC1KLKB1
SCHEMBL25374971 0.78 CACNA1H (0.52) KDM4AEPAS1EPHX2SERPINE1CACNA1H
SCHEMBL4618809 0.77 NAMPT (0.52) KDM4AGLSHDAC10HDAC6NAMPT
SCHEMBL18300594 0.76 KLKB1 (0.46) KDM4AEPAS1EPHX2SERPINE1CACNA1H

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 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 (3 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 KDM4A 997/4885EPAS1 1645/4885EPHX2 960/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 KDM4A 997/4885EPAS1 1645/4885EPHX2 960/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 KDM4A 997/4885EPAS1 1645/4885EPHX2 960/4885

“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.