Sugi Predict

Sugi Predict / Compounds / SCHEMBL6716638

SCHEMBL6716638

SCHEMBL6716638

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.36
▸ ARG1 P05089 2/20 0.36
▸ ARG2 P78540 2/20 0.36
▸ DAO P14920 1/20 0.35
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ ODC1 P11926 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL6716748 0.92 NR1H2 (0.34) S1PR1ARG1ARG2DAONR1H2
SCHEMBL6725269 0.89 MEN1 (0.36) S1PR1ARG1ARG2DAONR1H2
SCHEMBL6718101 0.82 ARG1 (0.37) S1PR1ARG1ARG2ALDH1A1MEN1
SCHEMBL6716549 0.80 ARG1 (0.35) S1PR1ARG1ARG2ALDH1A1MEN1
SCHEMBL6718125 0.78 BLM (0.47) S1PR1DAONR1H2NR1H3ERCC5
SCHEMBL6717742 0.73 MEN1 (0.36) S1PR1ARG1ARG2ALDH1A1MEN1
SCHEMBL6811148 0.72 ESR1 (0.46) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL6716627 0.71 ALDH1A1 (0.35) S1PR1ARG1ARG2ALDH1A1MEN1
SCHEMBL6719996 0.71 ALDH1A1 (0.40) S1PR1ARG1ARG2ALDH1A1MEN1
SCHEMBL14478224 0.70 ARG1 (0.66) ARG1ARG2ALDH1A1MEN1CYP1A2

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
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
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 S1PR1 3741/4885ARG1 608/4885ARG2 1121/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH S1PR1 2391/4885ARG1 507/4885ARG2 1126/4885

“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.