SCHEMBL25828774

SCHEMBL25828774

CCCCCCN(C(=O)[C@@H](N)[C@@H](C)CC)[C@H](C[C@@H](OCCCO)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G4A P47712 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
FAP Q12884 1/20 0.30

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
SCHEMBL27124306 0.93 ABCB1 (0.37) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL24140381 0.93 ABCB1 (0.37) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL26970595 0.91 PLA2G4A (0.34) PLA2G4AFAP
SCHEMBL27129269 0.91 PLA2G4A (0.34) PLA2G4AFAP
SCHEMBL25832393 0.88 ABCB1 (0.37) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL24140270 0.85 ABCB1 (0.37) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL25829278 0.85 ABCB1 (0.37) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL24140396 0.83 ABCB1 (0.39) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL25832382 0.81 ABCB1 (0.34) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL26970626 0.80 FAP (0.45) ABCB1ALDH1A1FAP

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-20230414775-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. 2023-12-28 US disclosed
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO 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-20230414775-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES SDCBP, TEK, TEKT1 ABCB1 895/4885MEN1 1024/4885NPC1 2301/4885

“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.