SCHEMBL2126522

SCHEMBL2126522

CN(C)S(=O)(=O)n1ccnc1CN(Cc1ccc(CO)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
JMJD6 Q6NYC1 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
CCR6 P51684 1/20 0.33
PAX8 Q06710 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
ABCB1 P08183 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL2127087 0.90 KCNA5 (0.36) KCNA5JMJD6ESR1POLBNR4A1
SCHEMBL2130266 0.78 KMT2A (0.34) KCNA5POLBMEN1KMT2AFGFR1
SCHEMBL2127136 0.78 FGFR1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2693461 0.75 TSHR (0.41) MEN1KMT2AFGFR1FGFR2FGFR4
SCHEMBL2129624 0.73 CXCR4 (0.42) KCNA5POLBMEN1KMT2AFGFR1
SCHEMBL2126521 0.73 SORD (0.31) MEN1KMT2A
SCHEMBL4068215 0.72 FGFR1 (0.35) KCNA5POLBMEN1KMT2AFGFR1
SCHEMBL4071647 0.72 ALDH1A1 (0.38) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4213740 0.71 KMT2A (0.39) KCNA5POLBMEN1KMT2AFGFR1
SCHEMBL27364470 0.71 CCR6 (0.55) KMT2ACCR6PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476290-B2 Compound having spiro-bonded cyclic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
EP-2444402-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 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-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF CXCR4, CXCL12, CCR5 KCNA5 2152/4885JMJD6 4812/4885ESR1 606/4885

“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.