SCHEMBL6718561

SCHEMBL6718561

COc1ccc(CC(C)(N)C(=O)O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
APLNR P35414 1/20 0.47
CA2 P00918 1/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ALDH1A1 P00352 3/20 0.43
BLM P54132 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
CYP1A2 P05177 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 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
SCHEMBL6718559 1.00 HSD17B10 (0.48) HSD17B10APLNRCA2MEN1KMT2A
SCHEMBL6718563 0.88 HSD17B10 (0.59) HSD17B10MEN1KMT2AMAPTADRA1A
SCHEMBL6718555 0.88 HSD17B10 (0.59) HSD17B10MEN1KMT2AMAPTADRA1A
SCHEMBL29346157 0.88 MEN1 (0.39) HSD17B10APLNRCA2MEN1KMT2A
SCHEMBL29346155 0.88 MEN1 (0.39) HSD17B10APLNRCA2MEN1KMT2A
SCHEMBL6714838 0.83 HSD17B10 (0.46) HSD17B10APLNRCA2MEN1KMT2A
SCHEMBL6714841 0.83 HSD17B10 (0.46) HSD17B10APLNRCA2MEN1KMT2A
SCHEMBL9316391 0.82 ALDH1A1 (0.39) HSD17B10MEN1KMT2AALDH1A1BLM
SCHEMBL29346229 0.82 BLM (0.40) HSD17B10CA2MEN1KMT2AALDH1A1
SCHEMBL29346228 0.82 BLM (0.40) HSD17B10CA2MEN1KMT2AALDH1A1

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-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
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 disclosed
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

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 HSD17B10 268/4885APLNR 1255/4885CA2 719/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH HSD17B10 392/4885APLNR 777/4885CA2 471/4885

“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.