SCHEMBL24436596

SCHEMBL24436596

CC(C)c1cccc(NCCC(=O)O)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
KRAS P01116 2/20 0.32
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 1/20 0.32
GRK5 P34947 1/20 0.32
PDE10A Q9Y233 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL29614826 1.00 ITGB2 (0.32) ITGB2ICAM1ITGALKRASPARP1
SCHEMBL29614834 0.92 PARP1 (0.36) KRASPARP1PARP2KMT2AMEN1
SCHEMBL29614843 0.85 KRAS (0.43) KRAS
SCHEMBL29700725 0.81 KRAS (0.38) KRASPARP2ALDH1A1
SCHEMBL21542783 0.81 KRAS (0.38) KRASPARP2ALDH1A1
SCHEMBL24436324 0.80
SCHEMBL24436437 0.78 PARP1 (0.31) PARP1
SCHEMBL22848359 0.77 KRAS (0.43) KRAS
SCHEMBL29614782 0.77 KRAS (0.43) KRAS
SCHEMBL22848283 0.77 LMNA (0.35) KRASKMT2AMEN1RXFP1ALDH1A1

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-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 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-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ITGB2 4845/4885ICAM1 4867/4885ITGAL 4853/4885

“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.