SCHEMBL7064623

SCHEMBL7064623

CC(C)(C)[Si](C)(C)Oc1ccc2cccc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA9 Q16790 4/20 0.48
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
KEAP1 Q14145 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL31241391 1.00 CA12 (0.48) CA12CA1CA9F2PLG
Hydrochloric Acid SCHEMBL7715101 0.98 CA12 (0.47) CA12CA1CA9F2PLG
SCHEMBL17964021 0.88 CA12 (0.47) CA12CA1CA9ALDH1A1HPGD
SCHEMBL7062446 0.82 CA12 (0.48) CA12CA1CA9PREPHSP90AA1
SCHEMBL7162950 0.80 ALDH1A1 (0.39) CA12CA1CA9F2PLG
Hydrochloric Acid SCHEMBL6432261 0.80 ALDH1A1 (0.39) CA12CA1CA9F2PLG
SCHEMBL7713187 0.79 CA12 (0.48) CA12CA1CA9ALDH1A1HPGD
SCHEMBL12017833 0.79 CA1 (0.59) CA12CA1CA9KDM4EMAPT
SCHEMBL25156337 0.78 CA1 (0.45) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL30344354 0.78 CA1 (0.45) CA12CA1CA9ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 CA12 3216/4885CA1 895/4885CA9 1215/4885

“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.