SCHEMBL2353706

SCHEMBL2353706

CCCCC(=O)C(c1ccc(OC2CCCCC2)c(Br)c1)C(O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.39
PDE4A P27815 7/20 0.36
PDE4D Q08499 7/20 0.36
PDE4C Q08493 6/20 0.36
POLB P06746 1/20 0.35
HIF1A Q16665 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2354914 0.85 FFAR1 (0.42) HIF1AMAOAMAOBALDH1A1HTT
SCHEMBL2349110 0.73 THRA (0.46) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL3884897 0.70 THRA (0.50) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL3888753 0.69 THRA (0.48) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL2354838 0.68 FFAR1 (0.45) HIF1AMAOAMAOB
SCHEMBL2347567 0.68 FFAR1 (0.45) MAOAMAOBALDH1A1HTT
SCHEMBL2347584 0.68 FFAR1 (0.44) MAOAMAOB
SCHEMBL2543441 0.66 CA12 (0.49) POLBMAOAALDH1A1HTTNPC1
SCHEMBL2345332 0.66 ALDH1A1 (0.39) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL2345335 0.66 ALDH1A1 (0.39) PDE4BPDE4APDE4DPDE4CPOLB

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 PDE4B 1351/4885PDE4A 1476/4885PDE4D 2423/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 PDE4B 1068/4885PDE4A 1182/4885PDE4D 1608/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 PDE4B 1068/4885PDE4A 1182/4885PDE4D 1608/4885

“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.