SCHEMBL1979106

SCHEMBL1979106

CS(=O)(=O)OCc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
RAB9A P51151 3/20 0.45
CYP19A1 P11511 1/20 0.45
MAPT P10636 1/20 0.45
MAOB P27338 1/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
NPC1 O15118 3/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 2/20 0.42
GAA P10253 1/20 0.41
AR P10275 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
SCHEMBL5319833 0.85 CYP2A6 (0.42) CYP2A6TSHRLOXL2RAB9ACYP19A1
SCHEMBL4952656 0.84 CA2 (0.58) TSHRRAB9ACA2CA9NPC1
SCHEMBL2961510 0.82 CYP2A6 (0.46) CYP2A6TSHRLOXL2CYP19A1MAPT
SCHEMBL1165338 0.81 CA2 (0.44) CA2CA9CA1
SCHEMBL9027088 0.80 MAPT (0.51) CYP2A6TSHRLOXL2RAB9ACYP19A1
SCHEMBL26449319 0.80 CA2 (0.42) RAB9ACA2CA9NPC1SMN1; SMN2
SCHEMBL29003478 0.80 CYP19A1 (0.47) CYP2A6TSHRLOXL2RAB9ACYP19A1
SCHEMBL7417122 0.80 TSHR (0.47) CYP2A6TSHRLOXL2CYP19A1MAPT
SCHEMBL1228846 0.80 GLA (0.48) MAPTMAOB
SCHEMBL2962876 0.78 TSHR (0.50) CYP2A6TSHRLOXL2CYP19A1MAPT

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 CYP2A6 1425/4885TSHR 4705/4885LOXL2 3656/4885

“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.