SCHEMBL24837495

SCHEMBL24837495

CCCC[S+]([O-])/N=C(\C[C@@H](O)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB1 P08183 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 3/20 0.36
PLA2G4A P47712 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CTSK P43235 1/20 0.35
HSP90AA1 P07900 2/20 0.34
PTPRB P23467 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL23901143 1.00 RAB9A (0.40) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL20586403 0.85 ABCB1 (0.44) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL909486 0.85 ABCB1 (0.44) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL12902792 0.85 ABCB1 (0.44) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL22045465 0.85 ABCB1 (0.44) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL22045464 0.85 ABCB1 (0.44) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL20529469 0.85 ABCB1 (0.44) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL21788032 0.79 RAB9A (0.43) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL22852593 0.78 ABCB1 (0.43) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL22199479 0.76 ABCB1 (0.43) RAB9AMAPTNPC1ALDH1A1MEN1

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-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 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-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 RAB9A 1610/4885MAPT 1665/4885NPC1 1637/4885

“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.