Sugi Predict

Sugi Predict / Compounds / SCHEMBL559974

SCHEMBL559974

SCHEMBL559974

COC(=O)c1ccc(-c2cc([C@H](CN)C(C)C(=O)O)ccc2Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK14 Q16539 4/20 0.35
▸ MAPK11 Q15759 3/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ TMPRSS15 P98073 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ IL2 P60568 2/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL560208 0.83 GAA (0.46) HPGDALDH1A1MRGPRX4KDM4EMAPT
SCHEMBL561151 0.73 GABBR2 (0.43) LMNAKMT2ATSHR
SCHEMBL560145 0.72 GABBR2 (0.50) HPGDALDH1A1LMNAKMT2ATSHR
Hydrochloric Acid SCHEMBL560359 0.71 GABBR2 (0.49) HPGDALDH1A1LMNAKMT2ATSHR
SCHEMBL2414233 0.70 HPGD (0.54) HPGDALDH1A1KDM4ELMNAMAPK14
SCHEMBL559313 0.68 GABBR2 (0.45) ALDH1A1LMNAKMT2AMAPK11HSD17B1
Hydrochloric Acid SCHEMBL560384 0.67 GABBR2 (0.44) ALDH1A1LMNAKMT2AMAPK11HSD17B1
SCHEMBL2085767 0.67 ESR1 (0.61) HPGDALDH1A1MRGPRX4LMNAIL2
SCHEMBL1235256 0.65 LMNA (0.60) HPGDALDH1A1MRGPRX4KDM4EMAPT
SCHEMBL6927360 0.65 SLC6A3 (0.48) HPGDALDH1A1MRGPRX4KDM4EMAPT

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
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 — — US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 — — EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 — — US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 — — US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 — — 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 (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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 HPGD 1690/4885ALDH1A1 1314/4885MRGPRX4 809/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 HPGD 1690/4885ALDH1A1 1314/4885MRGPRX4 809/4885

“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.