SCHEMBL2599307

SCHEMBL2599307

CN1C(=O)c2ccccc2[C@@]1(CO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PGR P06401 1/20 0.39
MDM2 Q00987 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL2599267 1.00 ALDH1A1 (0.42) ALDH1A1THRBTDP1PGRMDM2
SCHEMBL2597754 1.00 ALDH1A1 (0.42) ALDH1A1THRBTDP1PGRMDM2
SCHEMBL2598806 0.82 ALDH1A1 (0.47) ALDH1A1THRBTDP1PGRMDM2
SCHEMBL2598812 0.82 ALDH1A1 (0.42) ALDH1A1THRBTDP1PGRMDM2
SCHEMBL2597761 0.81 ATM (0.41) ALDH1A1MDM2CA12CA9MEN1
SCHEMBL2597994 0.81 ATM (0.41) ALDH1A1MDM2CA12CA9MEN1
SCHEMBL12185862 0.81 CTRB1 (0.42) ALDH1A1MDM2TP53
SCHEMBL13136409 0.77 MDM2 (0.44) ALDH1A1PGRMDM2HRH3MEN1
SCHEMBL2597762 0.77 PDK2 (0.36) ALDH1A1CYP2D6LMNAHTT
SCHEMBL2598682 0.76 ALDH1A1 (0.41) ALDH1A1THRBTDP1MDM2MEN1

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 885/4885THRB 781/4885TDP1 1095/4885

“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.