SCHEMBL15420333

SCHEMBL15420333

CCS(=O)(=O)NC1CCOCC1COc1ccc(-c2ccc(C)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
GRIA2 P42262 2/20 0.36
XDH P47989 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
GPR183 P32249 1/20 0.33
ADAM17 P78536 1/20 0.32
TNF P01375 1/20 0.32
DGAT1 O75907 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL15441176 1.00 CHRNA7 (0.37) CHRNA7GRIA2XDHNPC1RAB9A
SCHEMBL15441034 0.90 GRIA2 (0.46) GRIA2XDHGPR119GPR183DGAT1
SCHEMBL12987133 0.90 GRIA2 (0.46) GRIA2XDHGPR119GPR183DGAT1
SCHEMBL15420558 0.90 GRIA2 (0.37) GRIA2XDHNPC1RAB9AGPR119
SCHEMBL12987263 0.90 GRIA2 (0.37) GRIA2XDHNPC1RAB9AGPR119
SCHEMBL15420361 0.90 GRIA2 (0.37) GRIA2XDHNPC1RAB9AGPR119
SCHEMBL15420607 0.89 KDM4E (0.45) GRIA2XDHALDH1A1KDM4EHPGD
SCHEMBL12987769 0.87 PPARD (0.41) GRIA2XDHMCHR1
SCHEMBL15441150 0.87 PPARD (0.41) GRIA2XDHMCHR1
SCHEMBL15441277 0.86 XDH (0.38) XDHNPC1RAB9AMMP13MMP1

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 CHRNA7 42/4885GRIA2 12/4885XDH 499/4885

“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.