SCHEMBL20223165

SCHEMBL20223165

CC(C)(C)n1[nH]c(=O)n(C(C)(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL265922 0.76 GAA (0.38) GAACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL12109538 0.67 RGS4 (0.36) KMT2ALMNAMAPT
SCHEMBL5948293 0.66 MAPT (0.38) GAAALDH1A1LMNAMAPT
SCHEMBL11681492 0.65 LMNA (0.39) LMNAMAPT
SCHEMBL20724111 0.64 LMNA (0.38) LMNAMAPT
SCHEMBL10161341 0.63 DAO (0.31) GAACYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL1833220 0.62 LMNA (0.44) LMNAMAPT
SCHEMBL24961353 0.61 LGMN (0.39) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL11682100 0.61 LMNA (0.36) LMNAMAPT
SCHEMBL22036406 0.58 RGS4 (0.41)

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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2018-06-07 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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 GAA 1471/4885CYP2C9 465/4885CYP2C19 320/4885
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP GAA 834/4885CYP2C9 4191/4885CYP2C19 4604/4885

“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.