SCHEMBL22201007

SCHEMBL22201007

O=C(CC(CS(=O)(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.45
PTPN1 P18031 2/20 0.45
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9066674 0.84 ATM (0.74) ATMTSHRL3MBTL1KMT2AMEN1
SCHEMBL1859129 0.82 GABBR2 (0.52) TSHRKMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8431654 0.80 L3MBTL1 (0.74) ATMTSHRL3MBTL1KMT2AMEN1
SCHEMBL16616451 0.79 ATM (0.68) ATMTSHRL3MBTL1KMT2AMEN1
SCHEMBL28114650 0.77 ATM (0.66) ATMTSHRL3MBTL1KMT2AMEN1
SCHEMBL12158645 0.77 ATM (0.66) ATMTSHRL3MBTL1KMT2AMEN1
SCHEMBL2581702 0.77 ATM (0.66) ATMTSHRL3MBTL1KMT2AMEN1
SCHEMBL27509017 0.77 GABBR2 (0.47) TSHRKMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2215724 0.76 GABBR2 (0.42) SMN1; SMN2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL22607275 0.76 L3MBTL1 (0.69) ATMTSHRL3MBTL1KMT2AMEN1

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-11299491-B2 Synthesis of key intermediate of KRAS G12C inhibitor compound AMGEN INC. (US) 2022-04-12 US disclosed
US-20200216446-A1 SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2020-07-09 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-11299491-B2 Synthesis of key intermediate of KRAS G12C inhibitor compound KRAS, NRAS, HRAS ATM 1829/4885TSHR 4245/4885L3MBTL1 3019/4885
US-20200216446-A1 SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND KRAS, NRAS, HRAS ATM 1829/4885TSHR 4245/4885L3MBTL1 3019/4885

“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.