SCHEMBL4862965

SCHEMBL4862965

CC(C)(O)CONC(=O)c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
BCHE P06276 1/20 0.45
KAT6A Q92794 2/20 0.41
MAP2K1 Q02750 2/20 0.40
GAA P10253 1/20 0.38
UGCG Q16739 1/20 0.38
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
PSMB5 P28074 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6292216 0.87 CES2 (0.43) CES2CES1MAP2K1NPC1RAB9A
SCHEMBL6295965 0.79 CES2 (0.47) CES2CES1BCHEKAT6AMAP2K1
SCHEMBL28821060 0.79 CES2 (0.50) CES2CES1BCHEKAT6AGAA
SCHEMBL29941199 0.78 MAP2K1 (0.52) CES2CES1BCHEKAT6AMAP2K1
SCHEMBL6291256 0.77 CES2 (0.45) CES2CES1BCHEKAT6AMAP2K1
SCHEMBL27218132 0.77 CES2 (0.55) CES2CES1BCHEKAT6AGAA
SCHEMBL28742448 0.76 MAP2K1 (0.41) KAT6AMAP2K1GAAHPGDRAB9A
SCHEMBL6295970 0.76 MAPK1 (0.47) CES2CES1BCHEKAT6AMAP2K1
SCHEMBL15296545 0.76 LOXL2 (0.45) MAP2K1HPGDNPC1RAB9ALMNA
SCHEMBL4851679 0.76 CES2 (0.44) CES2CES1BCHEKAT6AMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 CES2 240/4885CES1 182/4885BCHE 318/4885

“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.