SCHEMBL2103733

SCHEMBL2103733

O=S(=O)(c1ccccc1)N1CC(CO)N(Cc2ccccc2)C(CO)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23556287 1.00 POLB (0.46) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL2103737 1.00 POLB (0.46) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL14439493 0.87 CYP2D6 (0.47) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL23539927 0.87 CYP2D6 (0.47) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL2104912 0.82 LMNA (0.47) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL2104916 0.82 LMNA (0.47) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL14916561 0.80 ALDH1A1 (0.50) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL26629419 0.80 ALDH1A1 (0.50) POLBUSP2CYP2D6ALDH1A1KDM4E
SCHEMBL18779188 0.78 POLB (0.44) POLBCYP2D6ALDH1A1KDM4EL3MBTL1
SCHEMBL25484796 0.78 ALDH1A1 (0.48) POLBUSP2CYP2D6ALDH1A1TSHR

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 WO disclosed
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
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-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 US 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-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 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
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
US-8163740-B2 6-substituted benzoxazines HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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 (4 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR POLB 329/4885USP2 4754/4885CYP2D6 9/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1481/4885USP2 1507/4885CYP2D6 3954/4885
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 POLB 3665/4885USP2 4256/4885CYP2D6 216/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK POLB 1560/4885USP2 1785/4885CYP2D6 4156/4885

“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.