SCHEMBL10048751

SCHEMBL10048751

CCS(=O)(=O)c1cccc2cccc(N(C)C)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CA2 P00918 2/20 0.44
▸ HTR6 P50406 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ EDNRA P25101 8/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 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
SCHEMBL17807515 0.89 GAA (0.52) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL14845761 0.82 GAA (0.61) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL8149846 0.82 CA2 (0.64) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL12698753 0.82 KDM4E (0.47) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL9676821 0.81 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL17322787 0.81 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL30116330 0.81 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL4889389 0.81 GAA (0.59) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL10344242 0.80 MAPT (0.49) GAAKDM4EMAPTCYP1A2CYP2C19
SCHEMBL15631840 0.79 GAA (0.57) GAAKDM4EMAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238231-B1 TRANSGENIC PHOTOSYNTHETIC MICROORGANISMS AND PHOTOBIOREACTOR PROTERRO INC (US) 2016-03-23 — — EP disclosed
US-9205144-B2 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-12-08 — — US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 — — US disclosed
WO-2014179765-A2 NOVEL HUMAN MIRNAS FOR USE IN DIAGNOSIS, PROGNOSIS AND THERAPY OF HUMAN CONDITIONS AND DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2014-11-06 — — WO disclosed
US-8518031-B2 Systems, devices and methods for making or administering frozen particles THE INVENTION SCIENCE FUND I, LLC (US) 2013-08-27 — — US disclosed
US-20130177558-A1 Method of Treating Immunological Disorders by Administering Truncated BAFF Receptors BIOGEN IDEC MA INC. (US) 2013-07-11 — — US disclosed
US-20130064843-A1 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-14 — — US disclosed
WO-2012131078-A1 BISPECIFIC BINDING MOLECULES BINDING TO VEGF AND ANG2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 — — WO disclosed
US-8114601-B2 Highly conserved genes and their use to generate probes and primers for detection of microorganisms GENEOHM SCIENCES CANADA INC. (CA) 2012-02-14 — — US disclosed
US-8110373-B2 Methods and compositions for treating and diagnosing diseases Celera Corporation (US) 2012-02-07 — — US disclosed
US-7675770-B2 Phase change memory device ELPIDA MEMORY, INC. (JP) 2010-03-09 — — US disclosed
EP-1501551-B1 Folate-receptor targeted imaging agents ENDOCYTE INC (US) 2009-11-18 — — EP 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 (1 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-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 GAA 414/4885KDM4E 1115/4885MAPT 2776/4885

“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.

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