SCHEMBL4070319

SCHEMBL4070319

CN(Cc1nccn1CC(=O)O)Cc1nccn1S(=O)(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.37
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FGFR1 P11362 9/20 0.35
FGFR2 P21802 9/20 0.35
FGFR4 P22455 9/20 0.35
FGFR3 P22607 9/20 0.35
KDR P35968 8/20 0.35
ALPG P10696 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL10292434 0.87 FPR2 (0.45) FPR2RAB9AL3MBTL1ALPGPLAA
SCHEMBL4075983 0.82 AGTR1 (0.39) RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4071647 0.80 ALDH1A1 (0.38) RAB9AL3MBTL1FGFR1FGFR2FGFR4
SCHEMBL4070185 0.75 ALDH1A1 (0.38) RAB9AL3MBTL1FGFR1FGFR2FGFR4
SCHEMBL10261857 0.74 FPR2 (0.45) FPR2L3MBTL1ALPGPLAAALPL
SCHEMBL11936765 0.74 RAB9A (0.39) FPR2RAB9AL3MBTL1ALPGCA12
SCHEMBL15199174 0.74 RAB9A (0.38) FPR2RAB9AL3MBTL1ALPGPLAA
SCHEMBL4215152 0.73 SORD (0.42) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2693461 0.73 TSHR (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL11938341 0.73 FPR2 (0.43) FPR2ALPGCA12CA1CA2

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 FPR2 1143/4885RAB9A 476/4885L3MBTL1 1695/4885

“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.