SCHEMBL17010776

SCHEMBL17010776

COC(=O)c1ccc(CN)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
NOTUM Q6P988 1/20 0.54
P4HB P07237 1/20 0.51
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA7 P43166 2/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL2526088 0.87 LOXL2 (0.54) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL3577577 0.86 NOTUM (0.57) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL1040017 0.85 NOTUM (0.55) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL18973337 0.85 P4HB (0.66) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL30848162 0.85 P4HB (0.66) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL29975942 0.85 NOTUM (0.55) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL15862210 0.84 LOXL2 (0.59) LOXL2MAPTALDH1A1HSD17B10KDM4E
SCHEMBL12942923 0.84 CA1 (0.53) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL17124875 0.83 NOTUM (0.58) LOXL2NOTUMP4HBMAPTALDH1A1
SCHEMBL31063216 0.83 NOTUM (0.54) LOXL2NOTUMP4HBMAPTALDH1A1

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
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-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
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

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-20160376272-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI LOXL2 298/4885NOTUM 757/4885P4HB 1912/4885

“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.