SCHEMBL13133486

SCHEMBL13133486

BCc1ccc(O)cc1C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.66
▸ CA1 P00915 4/20 0.66
▸ CA2 P00918 4/20 0.66
▸ CA7 P43166 4/20 0.66
▸ CA9 Q16790 4/20 0.66
▸ CA14 Q9ULX7 4/20 0.66
▸ ESR1 P03372 2/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ EGFR P00533 2/20 0.49
▸ MIF P14174 1/20 0.49
▸ PFKFB3 Q16875 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ SERPINE1 P05121 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL15478784 0.84 HPGD (0.53) CA12CA1CA2CA7CA9
SCHEMBL11377800 0.83 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL10449048 0.81 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL39259 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL550228 0.80 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL29457603 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL542402 0.78 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL5316745 0.77 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL10743287 0.77 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL16269270 0.77 CA12 (0.70) CA12CA1CA2CA7CA9

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-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 — — 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-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT CA12 4852/4885CA1 4831/4885CA2 4768/4885

“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.

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