SCHEMBL15420167

SCHEMBL15420167

CCS(=O)(=O)NC1CCC(F)(F)CC1COc1ccc(-c2ccccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMO Q99835 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
CCR6 P51684 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ABL1 P00519 1/20 0.32
NPY5R Q15761 1/20 0.32
DGAT1 O75907 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL15441946 1.00 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15420168 1.00 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12987698 0.91 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12987694 0.91 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15441435 0.91 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12988449 0.84 KDM4E (0.44) CYP2C9CCR6DGAT1
SCHEMBL15420549 0.84 KDM4E (0.44) CYP2C9CCR6DGAT1
SCHEMBL15420782 0.83 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15420781 0.83 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15420288 0.83 CXCR1 (0.35) CYP2C9RAB9A

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 CYP1A2 1155/4885CYP2D6 1414/4885CYP19A1 1359/4885

“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.