SCHEMBL5435637

SCHEMBL5435637

CS(=O)(=O)OC(c1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 2/20 0.42
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
TSHR P16473 1/20 0.39
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.38
CYP19A1 P11511 3/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 3/20 0.34
CYP2C9 P11712 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
SCHEMBL14646429 0.84 GRIA4 (0.43) CA1CA2CA9GRIA1GRIA2
SCHEMBL15318148 0.84 GRIA4 (0.43) CA1CA2CA9GRIA1GRIA2
SCHEMBL20487521 0.84 GRIA4 (0.43) CA1CA2CA9GRIA1GRIA2
SCHEMBL5441065 0.77 ALDH1A1 (0.48) CA1CA2CA9CYP2A6ALDH1A1
SCHEMBL507941 0.76 GRIA1 (0.41) CA1CA2CA9GRIA1GRIA2
SCHEMBL5444282 0.75 CASP6 (0.40) CA1CA2CA9GRIA1GRIA2
SCHEMBL6670749 0.74 LMNA (0.41) TSHRALDH1A1HTTKDM4EMAPT
SCHEMBL7385564 0.74 CYP2A6 (0.46) CA2CA9TSHRCYP2A6ALDH1A1
SCHEMBL507068 0.74 TSHR (0.51) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL27669830 0.73 MAPT (0.44) CA1CA2CA9GRIA1GRIA2

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
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 US disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE CYP19A1, CYP2C19, CYP17A1 CA1 3348/4885CA2 4386/4885CA9 1770/4885

“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.