SCHEMBL5834798

SCHEMBL5834798

Cc1ccc2oc(-c3cc([N+](=O)[O-])ccc3F)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.67
MMP9 P14780 3/20 0.67
MMP8 P22894 3/20 0.67
MMP13 P45452 3/20 0.67
RAB9A P51151 13/20 0.60
NPC1 O15118 11/20 0.60
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
MCL1 Q07820 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 7/20 0.51
THRB P10828 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.48
PPARG P37231 3/20 0.46
CASP3 P42574 3/20 0.46

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
SCHEMBL5834180 0.90 MMP2 (0.67) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834772 0.88 RAB9A (0.55) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834599 0.86 RAB9A (0.54) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL4501854 0.85 MMP2 (0.67) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834676 0.85 RAB9A (0.53) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5835035 0.85 RAB9A (0.66) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834905 0.84 MMP2 (0.63) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL4511714 0.83 MMP2 (0.65) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834862 0.83 RAB9A (0.51) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL5834734 0.82 RAB9A (0.66) MMP2MMP9MMP8MMP13RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 MMP2 2311/4885MMP9 3036/4885MMP8 3392/4885

“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.