SCHEMBL2348741

SCHEMBL2348741

CCCCc1nnc(OCC2CN(C(=O)OC(C)(C)C)C2)cc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.42
PRMT5 O14744 8/20 0.42
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
GPR119 Q8TDV5 3/20 0.37
SIRT3 Q9NTG7 1/20 0.37
CHEK2 O96017 1/20 0.36

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
SCHEMBL2352160 0.94 YAP1 (0.48) YAP1PRMT5GPR119CHEK2
SCHEMBL2347727 0.92 YAP1 (0.50) YAP1PRMT5GPR119CHEK2
SCHEMBL2382833 0.92 PRMT5 (0.42) YAP1PRMT5GPR119SIRT3
SCHEMBL2382835 0.92 PRMT5 (0.42) YAP1PRMT5GPR119SIRT3
SCHEMBL2351428 0.91 PRMT5 (0.42) YAP1PRMT5GPR119SIRT3
SCHEMBL2351422 0.91 PRMT5 (0.42) YAP1PRMT5GPR119SIRT3
SCHEMBL2348312 0.85 PRMT5 (0.50) YAP1PRMT5GPR119
SCHEMBL2350270 0.85 GSTP1 (0.39) PRMT5
Hydrochloric Acid SCHEMBL2343797 0.85 GSTP1 (0.39) PRMT5
SCHEMBL2353881 0.85 PRMT5 (0.43) YAP1PRMT5GPR119SIRT3

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 YAP1 2128/4885PRMT5 2427/4885SLC5A1 292/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 YAP1 1433/4885PRMT5 1779/4885SLC5A1 779/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 YAP1 1433/4885PRMT5 1779/4885SLC5A1 779/4885

“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.