SCHEMBL2848525

SCHEMBL2848525

CCCCC(=O)Nc1ccc(S(=O)(=O)CC)c(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
ALOX12 P18054 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.45
KMT2A Q03164 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
SCHEMBL2535835 0.82 ALDH1A1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL2852761 0.78 NPC1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2853662 0.76 KDM4E (0.49) CA1CA2CA12CA9CYP1A2
Hydrochloric Acid SCHEMBL28000097 0.75 CA12 (0.37) CA1CA2CA12CA9ALDH1A1
SCHEMBL2855284 0.74 SMN1; SMN2 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2856740 0.74 CA1 (0.43) CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL2857903 0.72 CA1 (0.42) CA1CA2CA12CA9
SCHEMBL28325559 0.71 HDAC3 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10969527 0.71 KDM4E (0.72) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20376163 0.70 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP 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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US 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 CA1 3281/4885CA2 3011/4885CA12 2928/4885

“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.