SCHEMBL14916561

SCHEMBL14916561

O=C(O)C1CN(S(=O)(=O)c2ccccc2)CC(C(=O)O)N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.49
GAA P10253 2/20 0.47
USP2 O75604 2/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM5 P08912 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL26629419 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAUSP2CYP2D6
SCHEMBL25484796 0.89 ALDH1A1 (0.48) ALDH1A1POLBGAAUSP2CYP2D6
SCHEMBL5595399 0.86 ALDH1A1 (0.67) ALDH1A1GAAUSP2CYP2D6MEN1
SCHEMBL2105387 0.86 ALDH1A1 (0.67) ALDH1A1GAAUSP2CYP2D6MEN1
SCHEMBL2105390 0.86 ALDH1A1 (0.67) ALDH1A1GAAUSP2CYP2D6MEN1
SCHEMBL24524718 0.86 ALDH1A1 (0.67) ALDH1A1GAAUSP2CYP2D6MEN1
SCHEMBL25774613 0.86 ALDH1A1 (0.67) ALDH1A1GAAUSP2CYP2D6MEN1
SCHEMBL23556287 0.80 POLB (0.46) ALDH1A1POLBGAAUSP2CYP2D6
SCHEMBL2103737 0.80 POLB (0.46) ALDH1A1POLBGAAUSP2CYP2D6
SCHEMBL2103733 0.80 POLB (0.46) ALDH1A1POLBGAAUSP2CYP2D6

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-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 US disclosed
EP-2773639-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
WO-2013067277-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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 (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-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK ALDH1A1 3275/4885POLB 1560/4885GAA 2924/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK ALDH1A1 3511/4885POLB 1481/4885GAA 3038/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK ALDH1A1 3275/4885POLB 1560/4885GAA 2924/4885

“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.