SCHEMBL4071647

SCHEMBL4071647

CN(Cc1nccn1Cc1ccc(CO)cc1)Cc1nccn1S(=O)(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
FGFR1 P11362 6/20 0.35
FGFR2 P21802 6/20 0.35
FGFR4 P22455 6/20 0.35
FGFR3 P22607 6/20 0.35
KDR P35968 6/20 0.35
SORD Q00796 1/20 0.34
HSP90AA1 P07900 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90B1 P14625 1/20 0.34

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
SCHEMBL4075983 0.88 AGTR1 (0.39) ALDH1A1AGTR1AGTR2HSP90AA1RAB9A
SCHEMBL4070185 0.86 ALDH1A1 (0.38) ALDH1A1HTTAGTR1AGTR2FGFR1
SCHEMBL2127136 0.83 FGFR1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4070319 0.80 FPR2 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4071645 0.78 FGFR1 (0.33) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2129624 0.78 CXCR4 (0.42) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2125726 0.77 MEN1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4215152 0.77 SORD (0.42) ALDH1A1HTTFGFR1FGFR2FGFR4
SCHEMBL4077329 0.74 OPRD1 (0.46) ALDH1A1
SCHEMBL2125333 0.73 FGFR1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR

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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 ALDH1A1 297/4885HTT 3033/4885AGTR1 363/4885

“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.