SCHEMBL2345686

SCHEMBL2345686

CCCCc1nnc(OC2CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)c(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.37
PTPN11 Q06124 2/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
KMO O15229 2/20 0.34
DDX3X O00571 1/20 0.34
ADRB1 P08588 4/20 0.33
ADRB3 P13945 4/20 0.33
NTRK1 P04629 1/20 0.33
MELK Q14680 1/20 0.33
ADRB2 P07550 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL2345136 0.93 PDE4B (0.35) PDE4APDE4BPDE4CPDE4DDDX3X
SCHEMBL2350081 0.92 PDE4B (0.36) SYKPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2351913 0.91 PDE4B (0.35) SYKPDE4APDE4BPDE4CPDE4D
SCHEMBL2382486 0.88 MELK (0.35) PDE4APDE4BPDE4CPDE4DDDX3X
Hydrochloric Acid SCHEMBL2346533 0.87 MELK (0.35) PDE4APDE4BPDE4CPDE4DDDX3X
SCHEMBL2354582 0.87 CNR1 (0.40) PDE4APDE4BPDE4CPDE4DDDX3X
SCHEMBL2343616 0.86 MELK (0.35) SYKPDE4APDE4BPDE4CPDE4D
SCHEMBL2379770 0.86 TGFBR1 (0.40) SYKPDE4APDE4BPDE4CPDE4D
SCHEMBL2383232 0.86 DDX3X (0.39) SYKPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL2350125 0.85 DDX3X (0.38) SYKPDE4APDE4BPDE4CPDE4D

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 SYK 864/4885PTPN11 756/4885PDE4A 1476/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 SYK 1204/4885PTPN11 1490/4885PDE4A 1182/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 SYK 1204/4885PTPN11 1490/4885PDE4A 1182/4885

“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.