SCHEMBL19728622

SCHEMBL19728622

CS(=O)(=O)ONc1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCOLN3 Q8TDD5 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CA12 O43570 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ PTGS2 P35354 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ FABP3 P05413 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL19728623 0.84 HSD17B2 (0.41) MCOLN3LMNACA12CA2CA9
SCHEMBL4533547 0.77 KDM1A (0.60) MCOLN3LMNACA12CA2CA9
SCHEMBL31645593 0.77 KDM1A (0.60) MCOLN3LMNACA12CA2CA9
SCHEMBL6864336 0.76 FABP3 (0.46) MCOLN3LMNACA12CA2CA9
SCHEMBL16561359 0.76 MCOLN3 (0.50) MCOLN3LMNACA12CA2CA9
SCHEMBL26621186 0.76 MCOLN3 (0.50) MCOLN3LMNACA12CA2CA9
SCHEMBL9492832 0.74 KEAP1 (0.52) LMNACA12CA2CA9SMN1; SMN2
SCHEMBL27615436 0.73 PTGS2 (0.65) MCOLN3LMNACA12CA2CA9
SCHEMBL16561334 0.73 FABP4 (0.53) MCOLN3LMNACA12CA2CA9
SCHEMBL29446941 0.72 KEAP1 (0.50) CA12CA2CA9ALDH1A1KDM4E

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-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 — — 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-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE PNKP, PLCB3, PLCB1 MCOLN3 1458/4885LMNA 4198/4885CA12 962/4885

“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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