SCHEMBL4956338

SCHEMBL4956338

CS(=O)(=O)c1ccc(-c2noc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 16/20 0.53
▸ HDAC6 Q9UBN7 16/20 0.53
▸ HDAC1 Q13547 4/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ S1PR1 P21453 2/20 0.45
▸ DPP4 P27487 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL19047572 0.85 HDAC4 (0.72) HDAC4HDAC6HDAC1
SCHEMBL4411696 0.81 S1PR1 (0.52) HDAC4HDAC6CA12CA1CA2
SCHEMBL4227737 0.79 NR1H4 (0.56) HDAC4HDAC6HDAC1
SCHEMBL7019255 0.78 NR1H4 (0.54) HDAC4HDAC6HDAC1
SCHEMBL17377373 0.77 NOTUM (0.53) HDAC4HDAC6
SCHEMBL4414333 0.76 CA2 (0.50) HDAC4HDAC6CA12CA1CA2
SCHEMBL5569323 0.76 DPP4 (0.53) HDAC4HDAC6CA12CA1CA2
SCHEMBL11166733 0.76 MAPT (0.57) HDAC4HDAC6HDAC1
SCHEMBL3634573 0.75 NR1H4 (0.57) HDAC4
SCHEMBL11760941 0.74 FLT3 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 — — CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 — — EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — WO 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 HDAC4 384/4885HDAC6 1507/4885HDAC1 648/4885

“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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