SCHEMBL6724640

SCHEMBL6724640

NC(CF)(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
TDP1 Q9NUW8 6/20 0.62
HSD17B10 Q99714 5/20 0.62
MAPT P10636 5/20 0.62
ALOX15 P16050 5/20 0.62
BLM P54132 4/20 0.62
RECQL P46063 4/20 0.62
POLB P06746 3/20 0.62
HPGD P15428 3/20 0.62
ALDH1A1 P00352 3/20 0.62
APEX1 P27695 3/20 0.62
GAA P10253 3/20 0.62
PMP22 Q01453 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
USP2 O75604 2/20 0.62
EGFR P00533 2/20 0.62
FYN P06241 2/20 0.62
PTGS2 P35354 2/20 0.62
ADRA1A P35348 2/20 0.62

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
SCHEMBL10778426 1.00 KDM4E (0.62) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL10780736 1.00 KDM4E (0.62) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL31253198 0.89 KDM4E (0.49) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL22033164 0.89 KDM4E (0.49) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL22033092 0.86 CA2 (0.51) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL22033175 0.86 TDP1 (0.50) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL25578506 0.86 KDM4E (0.56) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL10783597 0.85 KDM4E (0.64) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL11254423 0.85 KDM4E (0.64) KDM4ETDP1HSD17B10MAPTALOX15
SCHEMBL10777800 0.85 KDM4E (0.64) KDM4ETDP1HSD17B10MAPTALOX15

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 28 patents — showing the first 20. 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-4413012-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1983-11-01 US claimed
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US claimed
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 US disclosed
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
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP 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
US-4405530-A Process for preparing fluorinated amino-nitriles MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-20 US disclosed
US-4346110-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1982-08-24 US disclosed
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US disclosed
US-4325961-A FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS MERCK & CO., INC. (US) 1982-04-20 US disclosed
US-4288601-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUND USING SULFUR TETRAFLUORIDE AND BORON TRIFLUORIDE IN HYDROFLUORIC ACID MERCK & CO., INC. (US) 1981-09-08 US disclosed
US-4215221-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUNDS USING SULFUR TETRAFLUORIDE IN HYDROFLUORIC ACID AND ALUMINUM CHLORIDE MERCK & CO., INC. (US) 1980-07-29 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 (3 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 KDM4E 1203/4885TDP1 776/4885HSD17B10 268/4885
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 KDM4E 3933/4885TDP1 571/4885HSD17B10 2331/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH KDM4E 935/4885TDP1 1535/4885HSD17B10 392/4885

“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.