SCHEMBL9056129

SCHEMBL9056129

O=C(O)CC(NC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.56
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
FOLH1 Q04609 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL18277722 1.00 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL8214230 0.84 FPR2 (0.66) FPR2FOLH1
SCHEMBL9618591 0.83 GAA (0.73) SMN1; SMN2HSD17B10GAAMAPT
SCHEMBL9618589 0.83 GAA (0.73) SMN1; SMN2HSD17B10GAAMAPT
SCHEMBL9333451 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL11418240 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL9333446 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL8088674 0.83 FPR2 (0.56) FPR2TP53EPHX1TSHREPHX2
SCHEMBL6375756 0.81 FPR2 (0.81) FPR2FOLH1
SCHEMBL6381444 0.81 FPR2 (0.81) FPR2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511558-B1 Process for the resolution of racemates and associates of diastereoisomers HOFFMANN LA ROCHE (CH) 1996-10-23 EP claimed
US-5334766-A Process for the resolution of racemic diphosphine oxides HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US claimed
US-10123985-B2 Therapeutic strategies for treating mitochondrial disorders WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-11-13 US disclosed
US-20160354332-A1 THERAPEUTIC STRATEGIES FOR TREATING MITOCHONDRIAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-08 US disclosed
US-5334766-A Process for the resolution of racemic diphosphine oxides HOFFMANN-LA ROCHE INC. (US) 1994-08-02 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 (2 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-10123985-B2 Therapeutic strategies for treating mitochondrial disorders GOT2, GOT1, OTC FPR2 4619/4885TP53 588/4885EPHX1 2033/4885
US-20160354332-A1 THERAPEUTIC STRATEGIES FOR TREATING MITOCHONDRIAL DISORDERS GOT2, GOT1, OTC FPR2 4619/4885TP53 588/4885EPHX1 2033/4885

“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.