SCHEMBL4630834

SCHEMBL4630834

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
KCNH2 Q12809 2/20 0.51
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP8 P22894 4/20 0.41
MMP12 P39900 4/20 0.41
MMP13 P45452 4/20 0.41
MMP14 P50281 4/20 0.41
MMP16 P51512 4/20 0.41
MMP1 P03956 2/20 0.41
HSD11B1 P28845 1/20 0.39
MMP3 P08254 3/20 0.38
HTR6 P50406 1/20 0.38
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 1/20 0.34

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
SCHEMBL14520019 0.88 MMP2 (0.41) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL22927502 0.83 HSD11B1 (0.47) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL28748849 0.82 HTR2A (0.49) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL28941489 0.81 HTR2A (0.64) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL14008998 0.80 CYP1A2 (0.38) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL3284628 0.80 HTR2A (0.48) HTR2AHTR2CKCNH2
Hydrochloric Acid SCHEMBL4611270 0.78 ALDH1A1 (0.40) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL28457958 0.78 HTR2A (0.50) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL5722105 0.77 CYP1A2 (0.46) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL4722434 0.77 ADRA2A (0.38) HTR2AHTR2CKCNH2MMP2MMP9

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 6 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
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 HTR2A 2542/4885HTR2C 3544/4885KCNH2 2808/4885

“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.