SCHEMBL5509632

SCHEMBL5509632

CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)c(C(Br)Br)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
ALDH1A1 P00352 3/20 0.40
PREP P48147 4/20 0.36
KDM4E B2RXH2 4/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
HPGD P15428 2/20 0.33
XDH P47989 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL25370505 0.86 CA12 (0.41) CA12CA1CA9ALDH1A1PREP
SCHEMBL4753702 0.81 CA12 (0.46) CA12CA1CA9ALDH1A1PREP
SCHEMBL1885083 0.80 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL7308992 0.78 CA12 (0.43) CA12CA1CA9ALDH1A1PREP
SCHEMBL1604135 0.78 CA12 (0.43) CA12CA1CA9ALDH1A1PREP
SCHEMBL29053391 0.78 CA12 (0.46) CA12CA1CA9ALDH1A1PREP
SCHEMBL30629166 0.78 SMN1; SMN2 (0.39) CA12CA1CA9ALDH1A1PREP
SCHEMBL28613347 0.77 CA12 (0.43) CA12CA1CA9ALDH1A1PREP
SCHEMBL6211617 0.77 KDM4E (0.47) CA12CA1CA9ALDH1A1PREP
SCHEMBL9097136 0.77 CA12 (0.44) CA12CA1CA9ALDH1A1PREP

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-1848463-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO VEHICLES Amgen Inc. (US) 2007-10-31 EP disclosed
US-20060199812-A1 Method of conjugating aminothiol containing molecules to vehicles AMGEN INC. 2006-09-07 US disclosed
WO-2006079099-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO A POLYMER AMGEN INC. (US) 2006-07-27 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-20060199812-A1 Method of conjugating aminothiol containing molecules to vehicles SLC7A1, QPCT, SLC7A5 CA12 1890/4885CA1 2857/4885CA9 3333/4885

“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.