SCHEMBL15420603

SCHEMBL15420603

CCS(=O)(=O)N[C@@H]1CCOC[C@H]1COc1ccc(-n2cnc(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM1 P11229 1/20 0.37
KMT2A Q03164 1/20 0.34
CHEK1 O14757 1/20 0.34
ATR Q13535 1/20 0.34
PDCD1 Q15116 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADAM17 P78536 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ACACB O00763 2/20 0.31
PTK2 Q05397 1/20 0.31
USP30 Q70CQ3 1/20 0.31
PSEN1 P49768 3/20 0.30

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
SCHEMBL15420598 1.00 CYP3A4 (0.45) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL15420600 1.00 CYP3A4 (0.45) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL15441678 0.83 KAT7 (0.39) CHRM1ADAM17ACACB
SCHEMBL15420022 0.83 KAT7 (0.39) CHRM1ADAM17ACACB
SCHEMBL15420129 0.82 KAT5 (0.38) CHRM1ADAM17ACACB
SCHEMBL15420102 0.82 KAT5 (0.38) CHRM1ADAM17ACACB
SCHEMBL15420452 0.82 FFAR4 (0.38) KMT2AADAM17
SCHEMBL15419964 0.82 KAT5 (0.38) CHRM1ADAM17ACACB
SCHEMBL15420456 0.82 FFAR4 (0.38) KMT2AADAM17
SCHEMBL15420453 0.82 FFAR4 (0.38) KMT2AADAM17

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 CYP3A4 2222/4885CYP1A2 1155/4885CYP2D6 1414/4885

“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.