SCHEMBL1979822

SCHEMBL1979822

Cc1ccc(S(=O)(=O)OCc2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP2A6 P11509 2/20 0.48
TSHR P16473 1/20 0.46
CYP19A1 P11511 2/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.42
HCRTR2 O43614 1/20 0.41
AR P10275 1/20 0.41
RORC P51449 1/20 0.41
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL8052920 0.87 CA2 (0.63) BCHEACHECA1CA2CA9
SCHEMBL6859827 0.87 CA2 (0.63) BCHEACHECA1CA2CA9
SCHEMBL5866144 0.85 BCHE (0.55) BCHEACHECA1CA2CA9
SCHEMBL12482669 0.85 CA2 (0.50) BCHEACHECA1CA2CA9
SCHEMBL27962506 0.84 MAPT (0.59) CA1CA2CA9ALDH1A1TSHR
SCHEMBL8780882 0.83 BCHE (0.52) BCHEACHECA1CA2CA9
SCHEMBL5633238 0.82 BCHE (0.51) BCHEACHECA1CA2CA9
SCHEMBL7890851 0.81 CA2 (0.56) ACHECA1CA2CA9ALDH1A1
SCHEMBL5870520 0.81 CA2 (0.56) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL7909564 0.80 CA2 (0.54) CA1CA2CA9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509973-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF Arch Pharmalabs Limited (IN) 2012-10-17 EP disclosed
US-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF SHANGHAI PARLING PHARMATECH CO., LTD. (CN) 2011-12-15 US disclosed
WO-2011070588-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2011-06-16 WO 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-20110306763-A1 PROCESS FOR THE PREPARATION OF IMATINIB AND SALTS THEREOF ABL1, JAK2, ABL2 BCHE 4069/4885ACHE 4777/4885CA1 3386/4885

“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.