SCHEMBL15440747

SCHEMBL15440747

CCS(=O)(=O)N[C@H]1CCC[C@H]1COc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.39
ACACB O00763 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
UBE2N P61088 1/20 0.36
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDH1 O75874 1/20 0.35
RAB9A P51151 1/20 0.34
NPC1 O15118 1/20 0.34
FFAR1 O14842 1/20 0.34
GRIA4 P48058 1/20 0.34
HCRTR2 O43614 2/20 0.34

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
SCHEMBL12987098 1.00 KMT2A (0.43) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL15440749 1.00 KMT2A (0.43) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL12987396 1.00 KMT2A (0.43) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL12987102 1.00 KMT2A (0.43) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL12987876 0.98 KMT2A (0.45) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL15440843 0.98 KMT2A (0.45) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL12987874 0.98 KMT2A (0.45) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL15420346 0.98 KMT2A (0.45) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL15420749 0.98 KMT2A (0.45) KMT2AHPGDACACBLMNAALDH1A1
SCHEMBL15420386 0.86 KMT2A (0.42) KMT2AACACBLMNAALDH1A1GAA

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 542/4885HPGD 2650/4885ACACB 3123/4885

“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.