SCHEMBL15420541

SCHEMBL15420541

O=C(O)Nc1ccc(C2COC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
JAK3 P52333 1/20 0.42
NPC1 O15118 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
DEGS1 O15121 1/20 0.40
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 3/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
RCOR1 Q9UKL0 2/20 0.37

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
SCHEMBL9108563 0.84 SMN1; SMN2 (0.52) NPC1ALDH1A1HPGDRAB9ATSHR
SCHEMBL22061255 0.80 CA12 (0.47) HDAC3HDAC11HDAC8HDAC6NPC1
SCHEMBL27091789 0.79 HDAC8 (0.55) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL29791270 0.78 ALDH1A1 (0.57) USP2ALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL23728280 0.78 HDAC3 (0.42) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL11215485 0.78 HDAC8 (0.62) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL23728301 0.76 ALDH1A1 (0.42) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL23728304 0.76 HDAC3 (0.41) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL21224957 0.75 ESR2 (0.58) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL30797302 0.75 CNR1 (0.44) JAK3NPC1MITFRAB9ASMN1; SMN2

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 HDAC3 2493/4885HDAC11 1260/4885HDAC8 1353/4885

“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.