SCHEMBL17343060

SCHEMBL17343060

CN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ ABCB1 P08183 1/20 0.50
▸ LMNA P02545 5/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17331321 0.88 ALDH1A1 (0.56) POLBALDH1A1GAALMNATDP1
SCHEMBL17343064 0.88 EPHX2 (0.53) POLBEPHX2ALDH1A1GAALMNA
SCHEMBL12977184 0.81 LMNA (0.67) POLBALDH1A1GAALMNAPKM
SCHEMBL17331315 0.80 ALDH1A1 (0.69) POLBALDH1A1GAALMNATDP1
SCHEMBL3717185 0.79 FABP4 (0.63) POLBALDH1A1LMNAKMT2AFFAR4
SCHEMBL17343063 0.77 ALDH1A1 (0.51) ALDH1A1GAALMNATDP1TP53
SCHEMBL19667058 0.77 POLB (0.69) POLBALDH1A1HTR6ABCB1LMNA
SCHEMBL13504015 0.73 TSHR (0.69) POLBALDH1A1LMNATP53KMT2A
SCHEMBL17331316 0.72 LMNA (0.51) LMNAFFAR4
SCHEMBL18311852 0.72 MEN1 (0.59) POLBEPHX2ALDH1A1LMNATP53

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 4 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-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
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 POLB 2683/4885EPHX2 3964/4885ALDH1A1 4655/4885

“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.

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