SCHEMBL27124306

SCHEMBL27124306

CCCCCCN(C(=O)C(N)C(C)CC)C(CC(OCC)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.37
RAB9A P51151 5/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G4A P47712 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL25828774 0.93 ABCB1 (0.34) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL25829278 0.89 ABCB1 (0.37) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL25826798 0.86 ABCB1 (0.34) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL25827793 0.86 ABCB1 (0.38) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL30360082 0.84 ABCB1 (0.47) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL27129269 0.84 PLA2G4A (0.34) PLA2G4A
SCHEMBL26970595 0.84 PLA2G4A (0.34) PLA2G4A
SCHEMBL31232704 0.82 CA2 (0.33) ABCB1CA2
SCHEMBL28923615 0.80 ABCB1 (0.36) ABCB1RAB9AMAPTNPC1ALDH1A1
SCHEMBL28923611 0.80 ABCB1 (0.36) ABCB1RAB9AMAPTNPC1ALDH1A1

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-20230414775-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. 2023-12-28 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-20230414775-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES SDCBP, TEK, TEKT1 ABCB1 895/4885RAB9A 1892/4885MAPT 1053/4885

“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.