SCHEMBL4598475

SCHEMBL4598475

CC(=CC(=O)O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
PTPN1 P18031 3/20 0.58
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
NR3C1 P04150 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.41
TBXAS1 P24557 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4598473 1.00 CRHBP (0.59) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL4599339 0.87 PTPN1 (0.56) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL4599342 0.87 PTPN1 (0.56) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL22658227 0.84 CRHBP (0.68) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL14009545 0.83 CRHBP (0.50) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL17301315 0.83 CRHBP (0.50) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL6952400 0.81 PTPN1 (0.68) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL7403019 0.78 PTPN1 (0.70) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL28458480 0.78 PTPN1 (0.65) CRHBPCRHR2PTPN1KMT2AL3MBTL1
SCHEMBL6943787 0.78 PTPN1 (0.61) CRHBPCRHR2PTPN1KMT2AL3MBTL1

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 CRHBP 4545/4885CRHR2 3725/4885PTPN1 1670/4885

“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.