SCHEMBL14087150

SCHEMBL14087150

Cc1nc(F)nc(Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.47
▸ CA2 P00918 10/20 0.47
▸ CA9 Q16790 10/20 0.47
▸ CA12 O43570 7/20 0.47
▸ CA14 Q9ULX7 7/20 0.47
▸ CA4 P22748 4/20 0.47
▸ CA6 P23280 4/20 0.47
▸ CA7 P43166 4/20 0.47
▸ CA13 Q8N1Q1 3/20 0.47
▸ CA5A P35218 3/20 0.45
▸ CA3 P07451 2/20 0.45
▸ CDK2 P24941 5/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK1 P06493 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ PDE4B Q07343 2/20 0.35
▸ TP53 P04637 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
SCHEMBL14536660 0.92 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL14079904 0.86 CA9 (0.47) CA1CA2CA9CA12CA14
SCHEMBL13069903 0.84 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL12147044 0.79 CA9 (0.56) CA1CA2CA9CA12CA14
SCHEMBL15242220 0.78 CA9 (0.42) CA1CA2CA9CA12CA14
SCHEMBL14536534 0.78 CA9 (0.43) CA1CA2CA9CA12CA14
SCHEMBL16560578 0.78 CASP6 (0.52) CA1CA2CA9CA12CA14
SCHEMBL16560586 0.77 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL16348812 0.77 CA9 (0.50) CA1CA2CA9CA12CA14
SCHEMBL22375891 0.76 CA9 (0.49) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414129-B2 Reactive triphendioxazine dyes, methods for the production thereof, and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-19 — — US disclosed
US-20080114166-A1 Reactive Triphendioxazine Dyes, Methods for the Production Thereof, and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-05-15 — — 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-20080114166-A1 Reactive Triphendioxazine Dyes, Methods for the Production Thereof, and Use Thereof CYP4X1, CYP1A1, P2RX4 CA1 381/4885CA2 558/4885CA9 459/4885

“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