SCHEMBL12440452

SCHEMBL12440452

CCOC(=O)Cc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
ROCK1 Q13464 4/20 0.46
AURKB Q96GD4 3/20 0.46
AURKA O14965 2/20 0.46
NR3C1 P04150 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRKACA P17612 2/20 0.43
CYP3A4 P08684 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2767849 0.87 POLB (0.57) POLBALDH1A1SMN1; SMN2ROCK1AURKB
SCHEMBL27473877 0.85 POLB (0.46) POLBHPGDRECQLALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5200509 0.84 POLB (0.45) POLBHPGDRECQLALDH1A1SMN1; SMN2
SCHEMBL5842450 0.82 HPGD (0.63) HPGDRECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL2636349 0.82 HTT (0.45) ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL2894674 0.81 NHERF1 (0.57) POLBHPGDRECQLALDH1A1SMN1; SMN2
SCHEMBL2082850 0.81 HTT (0.44) ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL2767758 0.81 ALDH1A1 (0.55) POLBALDH1A1SMN1; SMN2ROCK1NR3C1
SCHEMBL5726830 0.81 CYP2D6 (0.47) POLBRECQLALDH1A1KDM4ELMNA
SCHEMBL12440456 0.80 MEN1 (0.54) POLBALDH1A1LMNATSHRHSD17B10

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-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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 (2 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 POLB 3970/4885HPGD 922/4885RECQL 4703/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 POLB 3947/4885HPGD 970/4885RECQL 4706/4885

“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.