Sugi Predict

Sugi Predict / Compounds / SCHEMBL15420607

SCHEMBL15420607

SCHEMBL15420607

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ GRIA2 P42262 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ CCR6 P51684 2/20 0.34
▸ CTSC P53634 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ EGLN2 Q96KS0 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ EGLN1 Q9GZT9 2/20 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
SCHEMBL15420171 0.93 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420497 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420266 0.89 KDM4E (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15441176 0.89 CHRNA7 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15420333 0.89 CHRNA7 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15441034 0.88 GRIA2 (0.46) GRIA2XDH
SCHEMBL12987263 0.88 GRIA2 (0.37) KDM4EHTTCYP11B2GRIA2XDH
SCHEMBL15420361 0.88 GRIA2 (0.37) KDM4EHTTCYP11B2GRIA2XDH
SCHEMBL15420558 0.88 GRIA2 (0.37) KDM4EHTTCYP11B2GRIA2XDH
SCHEMBL12987133 0.88 GRIA2 (0.46) GRIA2XDH

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.