SCHEMBL2441663

SCHEMBL2441663

COC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
P4HB P07237 1/20 0.44
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4A O75164 1/20 0.41
BRD4 O60885 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NAMPT P43490 1/20 0.39
HDAC1 Q13547 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL6950153 0.93 HDAC10 (0.43) NOTUMP4HBHDAC10HDAC6KDM4A
SCHEMBL12230860 0.90 NOTUM (0.45) NOTUMP4HBHDAC10HDAC6KDM4A
SCHEMBL28994237 0.89 HDAC10 (0.40) NOTUMP4HBHDAC10HDAC6KDM4A
SCHEMBL2446141 0.88 EPHX2 (0.46) HDAC10HDAC6KDM4ABRD4NAMPT
SCHEMBL15862086 0.88 KDM4A (0.44) NOTUMHDAC10HDAC6KDM4ABRD4
SCHEMBL28994250 0.86 HDAC1 (0.41) NOTUMP4HBHDAC10HDAC6KDM4A
SCHEMBL1495846 0.85 EPHX2 (0.49) NOTUMHDAC10HDAC6KDM4ABRD4
SCHEMBL12231188 0.84 EPHX2 (0.50) HDAC10HDAC6KDM4AALDH1A1LMNA
SCHEMBL1495955 0.84 EPHX2 (0.50) NOTUMKDM4A
SCHEMBL12231412 0.84 MAPT (0.47) NOTUMHDAC10HDAC6KDM4ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104703-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2020-11-18 EP disclosed
EP-3104703-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2020-11-18 EP disclosed
US-9944643-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20160376272-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 US disclosed
EP-3104703-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-21 EP disclosed
WO-2015123093-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed
WO-2015123093-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
EP-2542528-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS Amakem NV (BE) 2013-01-09 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 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 (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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT NOTUM 1592/4885P4HB 4011/4885HDAC10 754/4885
US-20160376272-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI NOTUM 757/4885P4HB 1912/4885HDAC10 994/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT NOTUM 2417/4885P4HB 4678/4885HDAC10 1698/4885

“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.