SCHEMBL6716748

SCHEMBL6716748

CCC[C@](N)(Cc1ccc(C(F)(F)F)c(O)c1O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 3/20 0.34
KMT2A Q03164 3/20 0.34
THRB P10828 1/20 0.34
S1PR1 P21453 1/20 0.33
DAO P14920 1/20 0.33
RXRA P19793 1/20 0.33
ARG1 P05089 2/20 0.32
ARG2 P78540 2/20 0.32
BLM P54132 2/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6716638 0.92 S1PR1 (0.36) NR1H2NR1H3MEN1ALDH1A1CYP1A2
SCHEMBL6725269 0.92 MEN1 (0.36) NR1H2NR1H3MEN1ALDH1A1CYP1A2
SCHEMBL6717742 0.81 MEN1 (0.36) MEN1ALDH1A1CYP1A2KMT2ATHRB
SCHEMBL6718125 0.80 BLM (0.47) NR1H2NR1H3MEN1ALDH1A1CYP1A2
SCHEMBL6716627 0.78 ALDH1A1 (0.35) MEN1ALDH1A1CYP1A2KMT2ATHRB
SCHEMBL6718101 0.73 ARG1 (0.37) MEN1ALDH1A1CYP1A2KMT2ATHRB
SCHEMBL6714640 0.71 MEN1 (0.38) MEN1ALDH1A1CYP1A2KMT2ATHRB
SCHEMBL6716549 0.71 ARG1 (0.35) MEN1ALDH1A1CYP1A2KMT2ATHRB
SCHEMBL6799785 0.70 EGFR (0.43) MEN1ALDH1A1CYP1A2KMT2ATHRB
SCHEMBL6714610 0.69 ALDH1A1 (0.42) MEN1ALDH1A1CYP1A2KMT2ATHRB

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 5 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
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
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

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 NR1H2 3407/4885NR1H3 3634/4885MEN1 1837/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH NR1H2 3032/4885NR1H3 3286/4885MEN1 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.