SCHEMBL370347

SCHEMBL370347

CC(C)CCS(=O)(=O)CCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
CA1 P00915 2/20 0.37
POLB P06746 1/20 0.35
PMP22 Q01453 2/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
GCLC P48506 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31

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
Hydrochloric Acid SCHEMBL3349169 0.98 APEX1 (0.38) APEX1CA1POLBPMP22ALOX15
SCHEMBL5342132 0.90 CA1 (0.35) APEX1CA1POLBPMP22ALOX15
SCHEMBL31513537 0.82 APEX1 (0.55) APEX1POLBPMP22ALOX15BLM
SCHEMBL3167161 0.79 GAA (0.34) APEX1CA1GCLC
SCHEMBL15110013 0.76 APEX1 (0.44) APEX1KMT2A
SCHEMBL4766619 0.75 LMNA (0.43) APEX1POLBPMP22ALOX15BLM
SCHEMBL17070326 0.75 CA12 (0.45) APEX1CA1POLBKMT2A
SCHEMBL105245 0.74
SCHEMBL13923318 0.73 APEX1 (0.46) APEX1PMP22ALOX15BLMKMT2A
SCHEMBL6893526 0.73 CA1 (0.32) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650382-B2 Heteroarylamide derivatives having antiandrogenic properties ARANDA PHARMA LTD (FI) 2017-05-16 US disclosed
US-20150005308-A1 NOVEL HETEROARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES ARANDA PHARMA LTD (FI) 2015-01-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US 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 (2 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-20150005308-A1 NOVEL HETEROARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES AR, NR5A1, CYP19A1 APEX1 3892/4885CA1 3039/4885POLB 3856/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP APEX1 2566/4885CA1 582/4885POLB 2249/4885

“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.