SCHEMBL544826

SCHEMBL544826

Nc1ccc(OS(=O)(=O)c2c(F)cccc2F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.44
▸ NR4A1 P22736 1/20 0.41
▸ MET P08581 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ PKM P14618 5/20 0.35
▸ PKLR P30613 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL10652711 0.83 MEN1 (0.52) HTR6NR4A1CA1CA2CA9
SCHEMBL543840 0.81 TUBB4A (0.44) NR4A1METCDK9CA1CA2
SCHEMBL11089561 0.78 GPR17 (0.43) HTR6NR4A1CA1CA2CA9
SCHEMBL10656325 0.76 SOS1 (0.46) HTR6NR4A1CA1CA2CA9
SCHEMBL30626039 0.75 CA1 (0.47) HTR6CA1CA2CA9PKM
SCHEMBL10652647 0.75 CA12 (0.47) NR4A1CA1CA2CA9PKM
SCHEMBL10651300 0.75 ALDH1A1 (0.49) NR4A1CA1CA2CA9CA12
SCHEMBL11850296 0.75 TUBB4A (0.40) NR4A1METCDK9CA1CA2
SCHEMBL11841874 0.75 TDP1 (0.56) NR4A1CA1CA2CA9CA12
SCHEMBL543995 0.74 CA2 (0.57) CA1CA2PKMKMT2ANPC1

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-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 — — US disclosed
CN-101273019-A Novel benzimidazole and benzothiazole derivatives, method for preparing same, use thereof as drugs, pharmaceutical compositions and novel use especially as C-Met inhibitors AVENTIS PHARMA SA (FR) 2008-09-24 — — CN disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 — — 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK HTR6 600/4885NR4A1 2757/4885MET 1/4885

“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.

Send feedback