SCHEMBL6828588

SCHEMBL6828588

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(NC(=O)Nc4ccc(C(C)C)cc4)cc3)cc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ RAB9A P51151 3/20 0.44
▸ PTPN7 P35236 1/20 0.43
▸ THRB P10828 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 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
SCHEMBL6828522 0.85 THRB (0.45) CA2CA12CA1CA9RAB9A
SCHEMBL4105821 0.73 RAB9A (0.67) CA2CA12CA1CA9RAB9A
SCHEMBL6828214 0.72 MGLL (0.46) RAB9AMAPT
SCHEMBL28937177 0.71 PKM (0.39) CA2CA1KMT2AMEN1MMP1
SCHEMBL16942603 0.68 CA2 (0.74) CA2CA12CA1CA9RAB9A
SCHEMBL19707622 0.67 RAB9A (0.76) CA2CA12CA1CA9RAB9A
SCHEMBL17316239 0.67 CA2 (0.72) CA2CA12CA1CA9RAB9A
SCHEMBL672750 0.67 CA2 (1.00) CA2CA12CA1CA9PTPN7
SCHEMBL16691879 0.67 CCNC (0.45) THRBKIF11KMT2APOLBMEN1
SCHEMBL12748674 0.66 AKR1C3 (0.51) KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 — — 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-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 CA2 3927/4885CA12 4871/4885CA1 4779/4885

“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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