SCHEMBL6562864

SCHEMBL6562864

CC(=O)c1ccc(C(C)=O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KIF11 P52732 1/20 0.43
CYP2A6 P11509 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PKM P14618 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
SCHEMBL1951639 0.88 AKR1C3 (0.51) RAB9AAKR1C3AKR1C2MAPK1AKR1B10
SCHEMBL19331714 0.88 RAB9A (0.55) MAOBCES2CES1MAOAMAPT
SCHEMBL13100225 0.86 DGAT1 (0.56) CES2CES1NPC1MAPTRAB9A
SCHEMBL31003344 0.83 KMT2A (0.44) CES2CES1NPC1MAPTRAB9A
SCHEMBL838252 0.83 KDM4E (0.50) MAPTRAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL24619359 0.83 HDAC6 (0.46) MAOBALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL7928045 0.83 KDM4E (0.54) MAOBNPC1MAPTRAB9AALDH1A1
SCHEMBL29669896 0.82 CES2 (0.67) MAOBCES2CES1MAOANPC1
SCHEMBL75801 0.82 CES2 (0.67) MAOBCES2CES1MAOANPC1
SCHEMBL9820914 0.81 PTPN1 (0.52) MAOBMAOAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782745-B2 Metal organic framework, production and use thereof UTI LIMITED PARTNERSHIP (CA) 2017-10-10 US disclosed
US-20160016148-A1 METAL ORGANIC FRAMEWORK, PRODUCTION AND USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2016-01-21 US disclosed
WO-2014138878-A1 METAL ORGANIC FRAMEWORK, PRODUCTION AND USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2014-09-18 WO disclosed
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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-20160016148-A1 METAL ORGANIC FRAMEWORK, PRODUCTION AND USE THEREOF SLC39A3, AOC3, SLC39A14 MAOB 108/4885CES2 3521/4885CES1 3750/4885
US-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 MAOB 1099/4885CES2 514/4885CES1 1083/4885

“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.