SCHEMBL4338177

SCHEMBL4338177

Nc1ccc(CNC(=O)O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.53
▸ ADRA2B P18089 1/20 0.51
▸ EPHX2 P34913 3/20 0.44
▸ NR1H4 Q96RI1 3/20 0.44
▸ P2RX7 Q99572 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ ALDH2 P05091 1/20 0.38

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
SCHEMBL27787353 0.86 AKR1B1 (0.44) AKR1B1ADRA2BEPHX2NR1H4P2RX7
SCHEMBL19212130 0.85 AKR1B1 (0.44) AKR1B1ADRA2B
SCHEMBL3568253 0.84 P2RX7 (0.53) AKR1B1EPHX2NR1H4P2RX7PPARG
SCHEMBL5308796 0.82 MAOB (0.48) EPHX2NR1H4P2RX7ERCC1ERCC4
SCHEMBL28357135 0.81 CYP1A2 (0.51) AKR1B1EPHX2NR1H4P2RX7CYP1A2
SCHEMBL3883601 0.81 ERCC1 (0.54) AKR1B1EPHX2NR1H4P2RX7ERCC1
SCHEMBL30182075 0.81 ADRA2B (0.50) AKR1B1ADRA2BEPHX2NR1H4P2RX7
SCHEMBL2965399 0.81 AKR1B1 (0.55) AKR1B1EPHX2NR1H4P2RX7CYP2C9
SCHEMBL14798583 0.80 LMNA (0.44) AKR1B1ADRA2BEPHX2NR1H4PPARG
SCHEMBL26672084 0.79 EPHX2 (0.43) AKR1B1EPHX2NR1H4P2RX7CYP1A2

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
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 — — US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 — — EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 — — US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 — — 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 (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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 AKR1B1 1999/4885ADRA2B 4312/4885EPHX2 659/4885

“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.

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