SCHEMBL25018488

SCHEMBL25018488

CC(C)(S)c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.62
PHGDH O43175 1/20 0.59
HPGD P15428 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
EPHX2 P34913 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
AKR1C3 P42330 1/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL270344 0.87 ALDH1A1 (0.71) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL17806573 0.83 ALDH1A1 (0.65) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL10720943 0.83 PHGDH (0.81) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL14461333 0.82 MLYCD (0.59) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL31499366 0.81 EPHX2 (0.79) MLYCDPHGDHHPGDSMN1; SMN2EPHX2
SCHEMBL15579306 0.80 MLYCD (0.57) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL1017455 0.78 PHGDH (0.69) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL12871 0.78 PHGDH (0.69) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL9674034 0.78 PHGDH (0.69) MLYCDPHGDHHPGDALDH1A1HTT
SCHEMBL28296651 0.78 HPGD (0.86) MLYCDPHGDHHPGDALDH1A1HTT

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-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 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 (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-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B MLYCD 2626/4885PHGDH 3505/4885HPGD 3820/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B MLYCD 2626/4885PHGDH 3505/4885HPGD 3820/4885

“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.