Sugi Predict

Sugi Predict / Compounds / SCHEMBL4598967

SCHEMBL4598967

SCHEMBL4598967

CCS(=O)(=O)c1ccccc1[C@@H](C)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.42
▸ CYP2D6 P10635 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ PNMT P11086 1/20 0.37
▸ KYNU Q16719 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL10179614 0.84 PSIP1 (0.45) PSIP1CYP1A2CYP3A4LMNATSHR
SCHEMBL27993363 0.83 PSIP1 (0.41) PSIP1CYP2D6CYP1A2CYP3A4KYNU
SCHEMBL6680955 0.82 GAA (0.46) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL10180449 0.81 TSHR (0.52) PSIP1TSHRPLCG1L3MBTL1
SCHEMBL731096 0.80 CA2 (0.48) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL5140208 0.80 L3MBTL1 (0.40) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL2517262 0.78 MYC (0.42) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL14008998 0.78 CYP1A2 (0.38) CYP2D6CYP1A2CYP3A4NFKB1PNMT
SCHEMBL739469 0.78 ELANE (0.41) CYP2D6CYP1A2CYP3A4NFKB1PNMT
Hydrochloric Acid SCHEMBL2175104 0.77 ALDH1A1 (0.40) CYP2D6CYP1A2CYP3A4NFKB1PNMT

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 — — EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — 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 (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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 PSIP1 2669/4885CYP2D6 205/4885CYP1A2 409/4885

“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.