SCHEMBL5372603

SCHEMBL5372603

COC(=O)c1ccc(C[C@@H](Br)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CYP4A11 Q02928 2/20 0.51
TSHR P16473 2/20 0.50
CYP4F2 P78329 1/20 0.50
MAPT P10636 3/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SLC7A5 Q01650 1/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LDHA P00338 1/20 0.46
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL27828327 1.00 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL27328687 0.86 LOXL2 (0.59) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL2692900 0.86 LDHA (0.62) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL7511335 0.83 CYP4A11 (0.57) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL23582892 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL13577833 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL22751983 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL4588604 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL2559396 0.82 KMT2A (0.53) TSHRMAPTSLC7A5MEN1KMT2A
SCHEMBL1768596 0.81 SLC7A5 (0.68) LOXL2CYP4A11MAPTTDP1SLC7A5

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-7205435-B2 Type B botulism toxin inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-04-17 US disclosed
US-20040176333-A1 Type b botulism toxin inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-09-09 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 (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-20040176333-A1 Type b botulism toxin inhibitors GZMB, CFB, MAOB LOXL2 1975/4885CYP4A11 373/4885TSHR 2624/4885

“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.