SCHEMBL6714642

SCHEMBL6714642

CC[C@](N)(Cc1cc(O)c(C(F)(F)F)c(O)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
BLM P54132 2/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41
GAA P10253 1/20 0.41
APEX1 P27695 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL6714610 0.91 ALDH1A1 (0.42) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6719996 0.89 ALDH1A1 (0.40) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6715152 0.81 CYP1A2 (0.62) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27762142 0.78 HSD17B10 (0.67) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6724817 0.74 MEN1 (0.36) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5329860 0.72 BLM (0.64) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10935109 0.72 BLM (0.64) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5329866 0.72 BLM (0.64) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14743437 0.72 SMN1; SMN2 (0.60) CYP1A2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL9457635 0.72 SMN1; SMN2 (0.60) CYP1A2ALDH1A1MEN1KMT2ACYP3A4

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 9 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

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 CYP1A2 1710/4885ALDH1A1 100/4885MEN1 1837/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH CYP1A2 2289/4885ALDH1A1 114/4885MEN1 1138/4885

“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.