SCHEMBL2145756

SCHEMBL2145756

CCc1cccc(C(=O)OC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ CYP4F2 P78329 3/20 0.49
▸ CYP4A11 Q02928 3/20 0.49
▸ SMYD3 Q9H7B4 1/20 0.47
▸ SLC7A5 Q01650 3/20 0.47
▸ BCL2 P10415 1/20 0.45
▸ KAT6A Q92794 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ MEP1B Q16820 1/20 0.42
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 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
Hydrochloric Acid SCHEMBL2146166 0.98 LOXL2 (0.53) LOXL2CYP4F2CYP4A11SMYD3SLC7A5
SCHEMBL9699976 0.89 LOXL2 (0.56) LOXL2CYP4F2CYP4A11SMYD3SLC7A5
SCHEMBL9699987 0.84 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5BCL2
SCHEMBL45866 0.82 PARP1 (0.57) LOXL2CYP4F2CYP4A11SMYD3BCL2
SCHEMBL126284 0.80 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
Hydrochloric Acid SCHEMBL27603084 0.80 PARP1 (0.55) LOXL2CYP4F2CYP4A11SMYD3BCL2
SCHEMBL13954535 0.79 LOXL2 (0.53) LOXL2CYP4F2CYP4A11SMYD3SLC7A5
SCHEMBL129801 0.79 CYP4F2 (0.71) LOXL2CYP4F2CYP4A11CA2MEP1B
SCHEMBL13291593 0.79 CYP4F2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5MEP1B
SCHEMBL28348794 0.79 PARP1 (0.63) PKMSMN1; SMN2

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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
WO-2011083304-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-07-14 — — 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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 LOXL2 2531/4885CYP4F2 89/4885CYP4A11 46/4885

“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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