SCHEMBL15420549

SCHEMBL15420549

CCS(=O)(=O)N[C@H]1CCC(F)(F)C[C@@H]1COc1ccc(-c2ccc(C#N)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
IDH1 O75874 1/20 0.35
DGAT1 O75907 2/20 0.35
CCR6 P51684 5/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
P2RX7 Q99572 1/20 0.33
CACNA1H O95180 2/20 0.33
CTSC P53634 1/20 0.33
GRIA2 P42262 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL12988449 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12988450 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12987484 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12987485 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12987578 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12987356 0.90 IDH1 (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12987358 0.90 IDH1 (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420029 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420027 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420051 0.85 KDM1A (0.38) CYP11B1CYP11B2IDH1KCNH2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 KDM4E 2112/4885ALDH1A1 143/4885HPGD 2650/4885

“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.