SCHEMBL4611906

SCHEMBL4611906

CC(=O)c1ccccc1S(=O)(=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA5A P35218 1/20 0.40
NAAA Q02083 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
ABCB1 P08183 1/20 0.38
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
LMNA P02545 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3707076 0.85 CA1 (0.55) CA1CA2CA9MMP1MMP2
SCHEMBL8607514 0.83 ALDH1A1 (0.42) BCAT2CA1CA2CA9CA5A
SCHEMBL363941 0.83 IRAK4 (0.47) BCAT2CA1CA2CA9CA5A
SCHEMBL14443240 0.80 CA1 (0.65) CA1CA2CA9CA5ALMNA
SCHEMBL11384280 0.78 BCAT2 (0.42) BCAT2CA1CA2CA9CA5A
SCHEMBL30455577 0.78 BCAT2 (0.62) BCAT2CA1CA2CA9CA5A
SCHEMBL6631818 0.78 BCAT2 (0.62) BCAT2CA1CA2CA9CA5A
SCHEMBL722597 0.78 BCAT2 (0.44) BCAT2CA1CA2CA9CA5A
SCHEMBL16339817 0.76 LMNA (0.47) BCAT2CA1CA2MMP1MMP2
Hydrochloric Acid SCHEMBL7552816 0.76 BCAT2 (0.43) BCAT2CA1CA2CA9CA5A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808952-B2 Composition for forming charge transporting film, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-08-19 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
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 BCAT2 961/4885CA1 3281/4885CA2 3011/4885

“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.