SCHEMBL14087147

SCHEMBL14087147

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 13/20 0.45
▸ CA12 O43570 12/20 0.45
▸ CA1 P00915 12/20 0.45
▸ CA2 P00918 12/20 0.45
▸ CA14 Q9ULX7 7/20 0.45
▸ CA5A P35218 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL14079904 0.86 CA9 (0.47) CA9CA12CA1CA2CA14
SCHEMBL14079962 0.82 CA9 (0.52) CA9CA12CA1CA2CA14
SCHEMBL14536534 0.78 CA9 (0.43) CA9CA12CA1CA2CA14
SCHEMBL14582554 0.78 CA9 (0.42) CA9CA12CA1CA2CA14
SCHEMBL12147044 0.77 CA9 (0.56) CA9CA12CA1CA2CA14
SCHEMBL10057478 0.77 CA9 (0.57) CA9CA12CA1CA2CA14
SCHEMBL16348812 0.75 CA9 (0.50) CA9CA12CA1CA2CA14
SCHEMBL22375891 0.74 CA9 (0.49) CA9CA12CA1CA2CA14
SCHEMBL18475607 0.74 CA9 (0.80) CA9CA12CA1CA2CA14
SCHEMBL31729351 0.74 CA9 (0.55) CA9CA12CA1CA2CA14

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 CA9 459/4885CA12 407/4885CA1 381/4885

“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.

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