SCHEMBL15420568

SCHEMBL15420568

O=C(N[C@@H]1CCOC[C@H]1CO)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.51
CPB1 P15086 2/20 0.49
EPHX1 P07099 1/20 0.48
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
TLR4 O00206 1/20 0.43
CTSS P25774 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
DPP4 P27487 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL12987811 1.00 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL15420564 1.00 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL16597461 0.85 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL19925393 0.85 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL30060973 0.84 CPB1 (0.58) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL15046656 0.84 CPB1 (0.58) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL28523904 0.84 CPB1 (0.58) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL14169394 0.84 ALDH1A1 (0.54) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL12987702 0.84 ALDH1A1 (0.57) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL14177851 0.84 ALDH1A1 (0.54) ALDH1A1GAATSHRCPB1EPHX1

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
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-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 ALDH1A1 143/4885GAA 547/4885TSHR 814/4885

“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.