SCHEMBL346725

SCHEMBL346725

COc1ccc(C(=O)CCC(=O)O)cc1F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
LMNA P02545 1/20 0.66
MAPK1 P28482 1/20 0.66
RAB9A P51151 1/20 0.66
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HRH3 Q9Y5N1 2/20 0.56
CTNNB1 P35222 2/20 0.55
WNT3A P56704 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ACHE P22303 1/20 0.50
PDE4B Q07343 1/20 0.46

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
SCHEMBL19287206 0.86 HTT (0.59) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL4495664 0.86 HTT (0.68) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL5729116 0.86 RAB9A (0.63) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL6580881 0.86 HTT (0.63) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL29923058 0.85 CTNNB1 (0.73) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL1527427 0.85 CTNNB1 (0.73) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL11067687 0.85 HTT (0.55) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL27740944 0.83 HTT (0.50) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL11221996 0.83 HTT (0.59) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL5495178 0.83 CTNNB1 (0.60) HTTALDH1A1CYP1A2HPGDCYP2C19

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines VTVX HOLDINGS II LLC 2004-02-05 US disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003104235-A1 SUBSTITUTED HEXAHYDROPYRROLO[1,2-A]PYRAZINES, OCTAHYDROPYRIDO[1,2-A]PYRAZINES AND DECAHYDROPYRAZINO[1,2-A]AZEPINES NOVO NORDISK A/S (DK) 2003-12-18 WO disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
US-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP disclosed
US-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 US disclosed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP 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 (6 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-20040023946-A1 Substituted hexahydropyrrolo[1,2-a]pyrazines, octahydropyrido[1,2-a]-pyrazines and decahydropyrazino[1,2-a]azepines HRH2, HRH4, HRH1 HTT 524/4885LMNA 4713/4885MAPK1 2634/4885
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HTT 114/4885LMNA 1395/4885MAPK1 2547/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HTT 46/4885LMNA 2133/4885MAPK1 3559/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HTT 360/4885LMNA 4304/4885MAPK1 3802/4885
US-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 HTT 1602/4885LMNA 3982/4885MAPK1 1566/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 HTT 1602/4885LMNA 3982/4885MAPK1 1566/4885

“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.