SCHEMBL7198490

SCHEMBL7198490

CCS(=O)(=O)N(C)CCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CA1 P00915 3/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GSTO1 P78417 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL18184782 0.85 ALDH1A1 (0.39) MAPTCA1KMT2AALDH1A1MEN1
SCHEMBL9466919 0.84 CNR2 (0.36) MAPTCA1KMT2AALDH1A1MEN1
SCHEMBL2715609 0.80 CA1 (0.48) CA1CA12CA2CA14
SCHEMBL24137998 0.78 TSHR (0.45) MAPTKMT2AALDH1A1MEN1
SCHEMBL28699708 0.77 PTGS1 (0.36) CA1CA12CA2CA14
SCHEMBL28632556 0.77 POLB (0.39) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL4437562 0.76 CA1 (0.43) MAPTCA1ALDH1A1CA12CA2
SCHEMBL16090593 0.76 MEN1 (0.42) CA1KMT2AALDH1A1MEN1CA12
SCHEMBL796093 0.76
SCHEMBL14218683 0.74 DNM1 (0.48) CA1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 US disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 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-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK MAPT 2570/4885CA1 4274/4885KMT2A 1401/4885

“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.