SCHEMBL26257146

SCHEMBL26257146

CC(C)(C)C(=O)NCc1cccc(COC(=O)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RIPK1 Q13546 1/20 0.43
POLB P06746 2/20 0.42
ESR1 P03372 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MMP8 P22894 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP19A1 P11511 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL18697441 0.86 HDAC6 (0.56) HDAC6SMN1; SMN2CA1CA2CA7
SCHEMBL24297242 0.84 KDM4E (0.40) POLBESR1TDP1ALDH1A1KDM4E
SCHEMBL3505448 0.80 OPRK1 (0.54) HDAC6SMN1; SMN2CA1CA2CA7
SCHEMBL24297217 0.80 MEN1 (0.45) ALDH1A1KDM4EGLA
SCHEMBL24297009 0.79 ALDH1A1 (0.42) SMN1; SMN2ESR1ALDH1A1MMP8KDM4E
SCHEMBL3252739 0.79 GABRA1 (0.45) ALDH1A1KDM4EGLA
SCHEMBL18697527 0.78 RIPK1 (0.50) HDAC6SMN1; SMN2CA1CA2CA7
SCHEMBL15442794 0.78 RIPK1 (0.54) HDAC6SMN1; SMN2CA1CA2CA7
SCHEMBL20233518 0.78 RIPK1 (0.54) HDAC6SMN1; SMN2CA1CA2CA7
SCHEMBL15442032 0.78 RIPK1 (0.71) HDAC6SMN1; SMN2CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287138-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF REGNERON PHARMACEUTICALS, INC. (US) 2023-09-14 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 (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-20230287138-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF TGM2, QPCT, TGM3 HDAC6 1996/4885SMN1; SMN2 4037/4885CA1 949/4885

“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.