SCHEMBL2598682

SCHEMBL2598682

O=C1c2ccccc2C(CO)(C(=O)O)N1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MDM2 Q00987 8/20 0.37
CYP2D6 P10635 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM5 P08912 4/20 0.36
TP53 P04637 3/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL12185417 0.83 OPRM1 (0.42) ALDH1A1MDM2CYP2D6MEN1KMT2A
SCHEMBL2598806 0.82 ALDH1A1 (0.47) ALDH1A1MDM2CYP2D6MEN1KMT2A
SCHEMBL2597754 0.76 ALDH1A1 (0.42) ALDH1A1MDM2CYP2D6MEN1KMT2A
SCHEMBL2599307 0.76 ALDH1A1 (0.42) ALDH1A1MDM2CYP2D6MEN1KMT2A
SCHEMBL2599267 0.76 ALDH1A1 (0.42) ALDH1A1MDM2CYP2D6MEN1KMT2A
SCHEMBL2598812 0.73 ALDH1A1 (0.42) ALDH1A1MDM2TP53THRBTDP1
SCHEMBL12185427 0.67 ALDH1A1 (0.40) ALDH1A1MDM2MEN1KMT2ACYP1A2
SCHEMBL29602910 0.65 ALDH1A1 (0.46) ALDH1A1MDM2CYP2D6MEN1KMT2A
SCHEMBL12185862 0.62 CTRB1 (0.42) ALDH1A1MDM2TP53
SCHEMBL2597761 0.62 ATM (0.41) ALDH1A1MDM2MEN1KMT2ACYP1A2

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 ALDH1A1 885/4885MDM2 2967/4885CYP2D6 536/4885

“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.