SCHEMBL13954535

SCHEMBL13954535

CCc1cccc(C(=O)OS)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ CYP4F2 P78329 3/20 0.51
▸ CYP4A11 Q02928 3/20 0.51
▸ BCL2 P10415 1/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.46
▸ KAT6A Q92794 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ SLC7A5 Q01650 2/20 0.45
▸ MEP1B Q16820 1/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL9699976 0.85 LOXL2 (0.56) LOXL2CYP4F2CYP4A11BCL2FOLH1
SCHEMBL126284 0.83 LOXL2 (0.74) LOXL2CYP4F2CYP4A11FOLH1SLC7A5
SCHEMBL5925757 0.82 TDP1 (0.46) LOXL2CYP4F2CYP4A11
SCHEMBL27971856 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2SMYD3
SCHEMBL13291593 0.81 CYP4F2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5MEP1B
SCHEMBL27595257 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2SMYD3
SCHEMBL12814230 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2FOLH1
SCHEMBL129801 0.81 CYP4F2 (0.71) LOXL2CYP4F2CYP4A11MEP1BSMN1; SMN2
SCHEMBL27953652 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2FOLH1
SCHEMBL26042186 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2FOLH1

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-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-02-26 — — 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-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment FFAR1, HCAR1, GPR119 LOXL2 3239/4885CYP4F2 519/4885CYP4A11 170/4885

“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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