SCHEMBL311575

SCHEMBL311575

CC(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL312623 1.00 LMNA (0.55) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL542373 0.86 TP53 (0.55) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL25667517 0.83 LMNA (0.43) LMNAALDH1A1HTTNPC1POLB
SCHEMBL5839153 0.81 LMNA (0.60) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL1757552 0.81 LMNA (0.60) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL28629924 0.81 PTPRC (0.46) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL11387105 0.81 LMNA (0.42) LMNAALDH1A1HTTNPC1POLB
SCHEMBL17643692 0.81 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL25667516 0.81 TP53 (0.44) LMNAALDH1A1HTTKMT2AUSP2
SCHEMBL27774615 0.81 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A

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-20230167058-A1 GPX4 COMPOUNDS AND COMPOSITIONS AND METHODS OF TREATMENT USING SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-20230167058-A1 GPX4 COMPOUNDS AND COMPOSITIONS AND METHODS OF TREATMENT USING SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 US disclosed
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 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-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 LMNA 150/4885ALDH1A1 3121/4885HTT 4610/4885
US-20230167058-A1 GPX4 COMPOUNDS AND COMPOSITIONS AND METHODS OF TREATMENT USING SAME GPX4, GPX1, AIFM2 LMNA 3426/4885ALDH1A1 915/4885HTT 1489/4885

“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.