SCHEMBL26428982

SCHEMBL26428982

CC(C)NC(=O)OCc1ccc(OC(=O)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.55
TOP2B Q02880 2/20 0.55
ELANE P08246 3/20 0.50
ATM Q13315 2/20 0.48
TPSAB1 Q15661 2/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CTSK P43235 2/20 0.42

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
SCHEMBL23417721 0.91 TOP2A (0.55) TOP2ATOP2BELANEATMTPSAB1
SCHEMBL13590480 0.82 TOP2A (0.54) TOP2ATOP2BELANEATMTPSAB1
SCHEMBL18133676 0.81 TOP2A (0.54) TOP2ATOP2BATMTPSAB1PLG
SCHEMBL21202189 0.80 TOP2A (0.52) TOP2ATOP2BATMTPSAB1PLG
SCHEMBL24703633 0.79 TOP2A (0.53) TOP2ATOP2BELANEATMTPSAB1
SCHEMBL308291 0.79 ATM (0.64) TOP2ATOP2BELANEATMALDH1A1
SCHEMBL18429543 0.78 TOP2A (0.52) TOP2ATOP2BELANEATMTPSAB1
SCHEMBL21788135 0.78 TOP2A (0.51) TOP2ATOP2BELANEATMTPSAB1
SCHEMBL21788083 0.78 TOP2A (0.51) TOP2ATOP2BELANEATMTPSAB1
SCHEMBL22394067 0.78 MEN1 (0.53) TOP2ATOP2BTPSAB1PLGPRSS1

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-20240238436-A1 COMPOSITIONS INCLUDING CONJUGATED THERAPY ENHANCERS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-07-18 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 TOP2A 1150/4885TOP2B 2171/4885ELANE 1609/4885
US-20240238436-A1 COMPOSITIONS INCLUDING CONJUGATED THERAPY ENHANCERS LGMN, LPXN, LY96 TOP2A 681/4885TOP2B 1152/4885ELANE 1464/4885

“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.