SCHEMBL9636719

SCHEMBL9636719

CC(=O)O[C@H]1CC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
GAA P10253 3/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
STAT6 P42226 1/20 0.55
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
MT-CO2 P00403 2/20 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
SCHEMBL3593084 1.00 ALDH1A1 (0.55) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL5752117 0.87 ALDH1A1 (0.50) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL28431888 0.86 ALDH1A1 (0.55) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL18009424 0.85 ALDH1A1 (0.53) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL18009426 0.85 ALDH1A1 (0.53) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL18009314 0.85 ALDH1A1 (0.53) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL2273021 0.84 ALDH1A1 (0.47) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL5750904 0.84 ALDH1A1 (0.47) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL5750900 0.84 ALDH1A1 (0.47) ALDH1A1GAAHPGDCYP1A2CYP3A4
SCHEMBL22593164 0.82 ALDH1A1 (0.56) ALDH1A1GAAHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964223-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-09-13 EP disclosed
EP-2964222-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-9493440-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493440-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9416126-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9416126-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20160009696-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-20160009689-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-01-14 US disclosed
US-20160009689-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-01-14 US disclosed
US-20160009696-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
WO-2014134772-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
US-5116842-A Analgesics GLAXO GROUP LIMITED (GB) 1992-05-26 US disclosed
US-5109008-A Analgesics, diuretics, antiischemic agents GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
EP-0398720-A2 Piperazine derivatives GLAXO GROUP LIMITED (GB) 1990-11-22 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 (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-20160009696-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 ALDH1A1 4279/4885GAA 396/4885HPGD 2956/4885
US-20160009689-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 ALDH1A1 4279/4885GAA 396/4885HPGD 2956/4885

“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.