SCHEMBL2597727

SCHEMBL2597727

O=C1OC(CO)(C(=O)O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
GAA P10253 3/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 4/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR55 Q9Y2T6 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
TYMS P04818 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL11109213 0.83 THRB (0.44) CFTRGOPCGAAPKMTDP1
SCHEMBL12185540 0.80 SMN1; SMN2 (0.47) TDP1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL13136410 0.74 CFTR (0.48) CFTRGOPCGAAPKMTDP1
SCHEMBL9839162 0.74 CFTR (0.53) CFTRGOPCGAAPKMTDP1
SCHEMBL11288549 0.71 CFTR (0.50) CFTRGOPCGAAPKMTDP1
SCHEMBL4079140 0.71 CFTR (0.46) CFTRGOPCGAAPKMTDP1
SCHEMBL8076944 0.69 CFTR (0.47) CFTRGOPCGAAPKMTDP1
SCHEMBL14422532 0.69 SMN1; SMN2 (0.45) CFTRGOPCGAAPKMTDP1
SCHEMBL11102789 0.69 THRB (0.43) GAAPKMTDP1THRBMAPT
SCHEMBL11249029 0.69 CFTR (0.55) CFTRGOPCGAAPKMTDP1

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
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 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-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB CFTR 2838/4885GOPC 3447/4885GAA 167/4885

“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.