SCHEMBL6714833

SCHEMBL6714833

Cc1cc(=O)[nH]c2ccc(C[C@H](N)C(=O)O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ SLC7A5 Q01650 7/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CDC25A P30304 1/20 0.46
▸ CDC25B P30305 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
Water SCHEMBL11335239 0.99 LMNA (0.55) LMNAHPGDCYP2C9SLC7A5HIF1A
SCHEMBL11334336 0.82 LMNA (0.58) LMNAHPGDCYP2C9HIF1AKDM4E
SCHEMBL30639791 0.79 HPGD (0.68) LMNAHPGDCYP2C9HIF1AKDM4E
SCHEMBL31688885 0.78 SLC7A5 (0.51) SLC7A5HIF1AKDM4EHSD17B10PTGS1
SCHEMBL31370415 0.78 SLC7A5 (0.54) LMNAHPGDSLC7A5HIF1AKDM4E
SCHEMBL12154974 0.78 SLC7A5 (0.54) LMNAHPGDSLC7A5HIF1AKDM4E
SCHEMBL1733848 0.78 SLC7A5 (0.54) LMNAHPGDSLC7A5HIF1AKDM4E
SCHEMBL21690442 0.77 MEN1 (0.51) LMNAHPGDSLC7A5HIF1AKDM4E
SCHEMBL30107598 0.77 MEN1 (0.51) LMNAHPGDSLC7A5HIF1AKDM4E
SCHEMBL26793178 0.77 MEN1 (0.51) LMNAHPGDSLC7A5HIF1AKDM4E

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 13 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
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
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 disclosed
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 disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 — — WO disclosed
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 — — US disclosed
US-4206216-A Antihypertensive N-heterocyclicalanines MERCK & CO., INC. (US) 1980-06-03 — — US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 — — US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 — — US disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 — — US disclosed
US-4065572-A Amino acids and esters thereof useful as antihypertensive agents MERCK & CO., INC. (US) 1977-12-27 — — 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 (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 LMNA 3547/4885HPGD 150/4885CYP2C9 1346/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH LMNA 3420/4885HPGD 205/4885CYP2C9 2190/4885

“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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