Sugi Predict

Sugi Predict / Compounds / SCHEMBL15420358

SCHEMBL15420358

SCHEMBL15420358

O=S(=O)(N[C@H]1CCCO[C@@H]1COc1ccc(-n2cc(Cl)cn2)cc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MELK Q14680 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALK Q9UM73 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL15420980 0.90 RIPK2 (0.36) NPC1RAB9ARIPK2HRH3ALDH1A1
SCHEMBL21795647 0.89 RIPK2 (0.35) NPC1RAB9ARIPK2HRH3ALDH1A1
SCHEMBL15420148 0.89 RIPK2 (0.35) NPC1RAB9ARIPK2HRH3ALDH1A1
SCHEMBL15420627 0.89 RAB9A (0.38) NPC1RAB9ARIPK2HRH3ALDH1A1
SCHEMBL15420526 0.86 SCN9A (0.34) RIPK2CYP46A1MELKALKL3MBTL1
SCHEMBL15420270 0.83 CYP17A1 (0.34) RIPK2HRH3CYP46A1MELK
SCHEMBL15420726 0.82 HRH3 (0.33) RIPK2HRH3CYP46A1MELK
SCHEMBL15420364 0.82 HRH3 (0.33) RIPK2HRH3CYP46A1MELK
SCHEMBL21795673 0.80 RAB9A (0.37) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15419966 0.80 RAB9A (0.39) NPC1RAB9ARIPK2HRH3ALDH1A1

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 NPC1 2770/4885RAB9A 3305/4885RIPK2 3786/4885

“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.