SCHEMBL21048451

SCHEMBL21048451

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.47
CTSK P43235 3/20 0.46
PRTN3 P24158 2/20 0.45
CTRB1 P17538 2/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSB P07858 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
SCHEMBL16829101 1.00 ATM (0.53) ATMELANECTSKPRTN3CTRB1
SCHEMBL475033 0.88 ATM (0.62) ATMELANECTSKCTRB1CTSL
SCHEMBL7357546 0.88 ATM (0.62) ATMELANECTSKCTRB1CTSL
SCHEMBL7329364 0.82 ATM (0.57) ATMELANECTSKPRTN3CTRB1
SCHEMBL7413984 0.81 ATM (0.50) ATMELANECTSKPRTN3CTRB1
SCHEMBL9276917 0.81 FPR2 (0.50) ATMELANECTSKCTSLCTSS
SCHEMBL7407249 0.81 FPR2 (0.50) ATMELANECTSKCTSLCTSS
SCHEMBL7415067 0.81 ATM (0.47) ATMELANECTSKPRTN3CTSL
SCHEMBL19867876 0.79 ATM (0.51) ATMELANECTSKPRTN3CTRB1
SCHEMBL7412535 0.78 ATM (0.47) ATMELANECTSKPRTN3CTRB1

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 3 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
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-06-11 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 (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-10544145-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 ATM 4023/4885ELANE 2939/4885CTSK 4633/4885
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 ATM 4023/4885ELANE 2939/4885CTSK 4633/4885
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 ATM 4023/4885ELANE 2939/4885CTSK 4633/4885

“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.