SCHEMBL10137633

SCHEMBL10137633

COC(=O)[C@@H]1CC(C)(C)C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
BACE1 P56817 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 2/20 0.31

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
SCHEMBL18576562 0.84 KMT2A (0.57) KMT2ABACE1HTTCYP1A2HIF1A
SCHEMBL903366 0.81 ALDH1A1 (0.40) KMT2AHTTCYP1A2HIF1AALDH1A1
SCHEMBL30320818 0.80 KMT2A (0.53) KMT2ABACE1HTTCYP1A2HIF1A
SCHEMBL8356501 0.80 KMT2A (0.53) KMT2ABACE1HTTCYP1A2HIF1A
SCHEMBL1973599 0.79 HTT (0.55) KMT2AHTTCYP1A2TSHRGAA
SCHEMBL5550440 0.79 HTT (0.55) KMT2AHTTCYP1A2TSHRGAA
SCHEMBL9326232 0.77 KMT2A (0.61) KMT2ABACE1HTTGAANPSR1
SCHEMBL22860806 0.77 KMT2A (0.61) KMT2ABACE1HTTGAANPSR1
SCHEMBL15123413 0.73 KMT2A (0.46) KMT2ABACE1HTT
SCHEMBL15123414 0.73 KMT2A (0.46) KMT2ABACE1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
US-20180194802-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2018-07-12 US disclosed
US-9850277-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170057994-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-03-02 US disclosed
US-20170015703-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-01-19 US disclosed
US-9474779-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-20160130298-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-05-12 US disclosed
US-20150031627-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2015-01-29 US disclosed
US-20130190249-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-25 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 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 (9 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-20150031627-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 87/4885BACE1 1850/4885HTT 303/4885
US-20170015703-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 185/4885BACE1 1117/4885HTT 204/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KMT2A 3449/4885BACE1 225/4885HTT 3193/4885
US-20130190249-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 185/4885BACE1 1117/4885HTT 204/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A KMT2A 87/4885BACE1 1850/4885HTT 303/4885
US-20160130298-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 185/4885BACE1 1117/4885HTT 204/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KMT2A 3449/4885BACE1 225/4885HTT 3193/4885
US-20180194802-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 185/4885BACE1 1117/4885HTT 204/4885
US-20170057994-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 87/4885BACE1 1850/4885HTT 303/4885

“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.