SCHEMBL15440680

SCHEMBL15440680

CC(C)c1ccc(OC[C@H]2CCCC[C@@H]2NS(=O)(=O)CC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.35
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
ACACB O00763 5/20 0.34
UBE2N P61088 1/20 0.34
GRM2 Q14416 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP3 P08254 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
NPC1 O15118 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
SCHEMBL15420389 1.00 KMT2A (0.42) KMT2AALDH1A1INSRALKLMNA
SCHEMBL15420386 1.00 KMT2A (0.42) KMT2AALDH1A1INSRALKLMNA
SCHEMBL15420346 0.89 KMT2A (0.45) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL15420749 0.89 KMT2A (0.45) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL15440843 0.89 KMT2A (0.45) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL12987876 0.89 KMT2A (0.45) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL12987874 0.89 KMT2A (0.45) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL12987396 0.86 KMT2A (0.43) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL12987098 0.86 KMT2A (0.43) KMT2AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL15440747 0.86 KMT2A (0.43) KMT2AALDH1A1LMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KMT2A 542/4885ALDH1A1 143/4885INSR 364/4885

“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.