SCHEMBL7357546

SCHEMBL7357546

CC(NC(=O)OCc1ccccc1)c1nnc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
CTSK P43235 4/20 0.47
ELANE P08246 1/20 0.46
CTRB1 P17538 2/20 0.46
CTSS P25774 4/20 0.46
CTSL P07711 3/20 0.46
CTSB P07858 2/20 0.45

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
SCHEMBL475033 1.00 ATM (0.62) ATMCTSKELANECTRB1CTSS
SCHEMBL16829101 0.88 ATM (0.53) ATMCTSKELANECTRB1CTSS
SCHEMBL21048451 0.88 ATM (0.53) ATMCTSKELANECTRB1CTSS
SCHEMBL21265212 0.83 KMT2A (0.46) ATM
SCHEMBL22370927 0.81 ATM (0.67) ATMCTSKELANECTRB1CTSS
SCHEMBL22370926 0.81 ATM (0.67) ATMCTSKELANECTRB1CTSS
SCHEMBL7414757 0.80 ATM (0.58) ATMCTSKELANECTRB1CTSS
SCHEMBL12971777 0.80 ATM (0.55) ATMCTSKCTSSCTSLCTSB
SCHEMBL1505365 0.80 ATM (0.55) ATMCTSKCTSSCTSLCTSB
SCHEMBL19867876 0.79 ATM (0.51) ATMCTSKELANECTRB1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544145-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-01-28 US disclosed
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEVELOPMENT 1, INC. 2019-08-15 US disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-06-11 US disclosed
US-20160318927-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2016-11-03 US disclosed
US-20160296501-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2016-10-13 US disclosed
WO-2015095128-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2015-06-25 WO disclosed
EP-0628035-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-03-29 EP disclosed
EP-0628035-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-14 EP disclosed
WO-1993017003-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 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 (5 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-20160318927-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 ATM 4023/4885CTSK 4633/4885ELANE 2939/4885
US-10544145-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 ATM 4023/4885CTSK 4633/4885ELANE 2939/4885
US-20160296501-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 ATM 3730/4885CTSK 4711/4885ELANE 1786/4885
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 ATM 4023/4885CTSK 4633/4885ELANE 2939/4885
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 ATM 4023/4885CTSK 4633/4885ELANE 2939/4885

“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.