SCHEMBL17347396

SCHEMBL17347396

COCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
MAPT P10636 4/20 0.57
CYP2C9 P11712 5/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 3/20 0.55
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
BDKRB1 P46663 1/20 0.50
MAPK14 Q16539 1/20 0.48

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
SCHEMBL17347397 0.89 USP2 (0.52) ALDH1A1KDM4ENPSR1MAPTCYP2C9
SCHEMBL17347409 0.86 ALDH1A1 (0.64) ALDH1A1KDM4ENPSR1MAPTCYP2C9
SCHEMBL17331324 0.82 CYP2C9 (0.80) ALDH1A1KDM4ENPSR1CYP2C9MEN1
SCHEMBL17347402 0.82 KDM1A (0.61) MAPTMEN1KMT2AHPGDBDKRB1
SCHEMBL17331322 0.81 CYP2C9 (0.60) ALDH1A1KDM4ENPSR1CYP2C9MEN1
SCHEMBL4518983 0.79 PTGDR2 (0.59) ALDH1A1KDM4ENPSR1PTGDR2
SCHEMBL13816297 0.78 PTGDR2 (0.68) PTGDR2
SCHEMBL13823461 0.78 PTGDR2 (0.57) ALDH1A1KDM4ENPSR1MAPTHTT
SCHEMBL13816296 0.78 PTGDR2 (0.60) ALDH1A1KDM4ENPSR1MAPTPTGDR2
SCHEMBL14435529 0.76 HPGD (0.65) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 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 (1 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-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA ALDH1A1 4655/4885KDM4E 4089/4885NPSR1 3449/4885

“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.