SCHEMBL4599758

SCHEMBL4599758

CCOc1cccc(C(Nc2cccc(C(N)=O)c2)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.56
F7 P08709 10/20 0.56
F3 P13726 10/20 0.56
PRSS1 P07477 9/20 0.56
PRSS2 P07478 9/20 0.56
PRSS3 P35030 9/20 0.56
F2 P00734 8/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR1H4 Q96RI1 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL3086155 0.83 F7 (0.52) F10F7F3PRSS1PRSS2
SCHEMBL3087334 0.81 F7 (0.59) F10F7F3PRSS1PRSS2
SCHEMBL3084666 0.78 F7 (0.56) F10F7F3PRSS1PRSS2
SCHEMBL2705442 0.77 PARP1 (0.66) KMT2AMAPTMEN1L3MBTL1NR1H4
SCHEMBL3857805 0.76 PARP1 (0.39) F10F7F3PRSS1PRSS2
SCHEMBL13240836 0.75 MAPT (0.55) KMT2AMAPTMEN1TDP1L3MBTL1
SCHEMBL2486459 0.75 MAPT (0.55) KMT2AMAPTMEN1TDP1L3MBTL1
SCHEMBL3086665 0.74 F7 (0.48) F10F7F3PRSS1PRSS2
SCHEMBL4599433 0.74 F10 (0.47) F10F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL2486456 0.74 MAPT (0.54) KMT2AMAPTMEN1TDP1L3MBTL1

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 9 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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
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
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
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 F10 19/4885F7 3/4885F3 10/4885

“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.