SCHEMBL6718744

SCHEMBL6718744

CC(=O)N[C@@](C)(Cc1ccc(O)c(C)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ BLM P54132 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ EGFR P00533 1/20 0.46

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
SCHEMBL21581874 0.84 KDM4E (0.51) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL7247250 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22033119 0.80 BLM (0.56) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL9776114 0.78 SMN1; SMN2 (0.47) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL9776124 0.78 SMN1; SMN2 (0.47) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL2331138 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL8410894 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL2329888 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL11400542 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL11400920 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 — — US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 — — US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 — — EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 — — EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 — — WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 — — WO claimed

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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH ALDH1A1 100/4885KDM4E 1203/4885MAPT 1612/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ALDH1A1 114/4885KDM4E 935/4885MAPT 1920/4885

“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.

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