SCHEMBL1645878

SCHEMBL1645878

CC(=O)C(C(C)=O)C(=O)Oc1cc(F)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL27967595 0.84 CYP4F2 (0.36) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL1644991 0.80 CYP4F2 (0.36) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL10180490 0.79 GABRA1 (0.35) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL344663 0.78 CYP4F2 (0.55) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL27999254 0.78 CARM1 (0.36) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL28029176 0.76 CYP4F2 (0.36) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL29140951 0.76 CYP4F2 (0.53) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL28064017 0.75 CYP4F2 (0.35) CYP4F2CYP4A11GABRA1GABRG2GABRB3
SCHEMBL27915962 0.75 KMT2A (0.37) CYP4F2CYP4A11LMNA
SCHEMBL27769102 0.74 MGAM (0.40) CYP4F2CYP4A11GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308829-B1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO (CN) 2017-06-14 EP disclosed
US-8580997-B2 Process for preparing R-beta-amino phenylbutyric acid derivatives JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-11-12 US disclosed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US disclosed
EP-2308829-A1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2011-04-13 EP 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-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES ALAD, DAO, DDO CYP4F2 2209/4885CYP4A11 82/4885GABRA1 22/4885

“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.