SCHEMBL5846695

SCHEMBL5846695

CC(C)(C)OC(=O)N(Cc1ccc(C(=N)NO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HDAC6 Q9UBN7 11/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC11 Q96DB2 2/20 0.39
GRM2 Q14416 1/20 0.38
KDM1A O60341 1/20 0.36
AKT1 P31749 2/20 0.36
MEP1B Q16820 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL8363611 0.89 HDAC3 (0.43) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL18300382 0.86 HDAC3 (0.41) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL5846696 0.85 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6792190 0.83 GRM2 (0.43) HDAC1HDAC3HDAC2NCOR2GRM2
SCHEMBL14238036 0.82 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL4949677 0.81 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1853715 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL12410847 0.81 LOXL2 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL7361249 0.79 HDAC3 (0.47) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL1353124 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6

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
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
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 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 (5 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 HDAC1 490/4885HDAC3 574/4885HDAC2 403/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 HDAC1 490/4885HDAC3 574/4885HDAC2 403/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 HDAC1 490/4885HDAC3 574/4885HDAC2 403/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HDAC1 542/4885HDAC3 219/4885HDAC2 501/4885
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 HDAC1 1048/4885HDAC3 682/4885HDAC2 1283/4885

“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.