SCHEMBL1644947

SCHEMBL1644947

C[C@@H](CC(=O)O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ADAMTS4 O75173 1/20 0.38
LTA4H P09960 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
SCHEMBL1646855 1.00 FFAR1 (0.47) FFAR1GABBR2GABBR1PTGER1PTGER4
SCHEMBL1645769 1.00 FFAR1 (0.47) FFAR1GABBR2GABBR1PTGER1PTGER4
Acetic Acid SCHEMBL1646867 0.96 FFAR1 (0.45) FFAR1GABBR2GABBR1PTGER1PTGER4
SCHEMBL28178605 0.84 CYP3A4 (0.42) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL27741079 0.82 GABRP (0.42) KDM4EALDH1A1CYP2C19TSHRCYP1A2
SCHEMBL559436 0.79 TSHR (0.62) FFAR1GABBR2GABBR1PTGER1PTGER4
SCHEMBL6841260 0.79 FFAR1 (0.49) FFAR1
SCHEMBL1646939 0.78 ALDH1A1 (0.49) KDM4EALDH1A1TSHRHPGDHTT
SCHEMBL1645936 0.78 ALDH1A1 (0.49) KDM4EALDH1A1TSHRHPGDHTT
SCHEMBL1613850 0.78 HTT (0.49) FFAR1GABBR2GABBR1PTGER1PTGER4

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 FFAR1 975/4885GABBR2 12/4885GABBR1 9/4885

“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.