SCHEMBL2350221

SCHEMBL2350221

CCOC(=O)C1C(=O)CCN(C(=O)OC(C)(C)C)C1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ADORA1 P30542 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 2/20 0.34
GLA P06280 2/20 0.34
NPEPPS P55786 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28000905 0.86 NFKB1 (0.38) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL38659661 0.86 HSD17B10 (0.37) ALDH1A1DDB1CRBNATMHSD17B10
SCHEMBL1326298 0.84 NFKB1 (0.40) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL9948249 0.78 ADORA1 (0.42) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL31603663 0.77 MEN1 (0.42) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL20476316 0.77 MAPT (0.40) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL19078479 0.76 ATM (0.41) MEN1KMT2AALDH1A1MAPTDDB1
SCHEMBL20043029 0.75 PTPN1 (0.38) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL8438525 0.75 MEN1 (0.43) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL8438521 0.75 MEN1 (0.43) NFKB1NFKB2RELAMEN1KMT2A

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-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 NFKB1 1354/4885NFKB2 1868/4885RELA 1389/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 NFKB1 1551/4885NFKB2 2179/4885RELA 1482/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 NFKB1 1551/4885NFKB2 2179/4885RELA 1482/4885

“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.