SCHEMBL15420581

SCHEMBL15420581

Cc1cc(-c2ccc(OCC3COCCC3NC(=O)O)cc2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
XDH P47989 1/20 0.39
CHRM1 P11229 4/20 0.37
AXL P30530 3/20 0.36
MERTK Q12866 3/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ADAM17 P78536 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CXCR1 P25024 1/20 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
SCHEMBL15441228 0.86 XDH (0.37) FAAHXDHCHRM1ADAM17HRH3
SCHEMBL12988291 0.86 XDH (0.37) FAAHXDHCHRM1ADAM17HRH3
SCHEMBL15441373 0.85 XDH (0.36) FAAHXDHCHRM1ADAM17MEN1
SCHEMBL15420668 0.85 XDH (0.36) FAAHXDHCHRM1ADAM17MEN1
SCHEMBL12989318 0.84 XDH (0.35) FAAHXDHCHRM1PIK3CAMTOR
SCHEMBL15441961 0.84 XDH (0.35) FAAHXDHCHRM1PIK3CAMTOR
Hydrochloric Acid SCHEMBL12990297 0.81 XDH (0.40) FAAHXDHRAB9AHRH3CXCR1
SCHEMBL15420322 0.81 GRM5 (0.41) XDH
SCHEMBL15419942 0.80 LMNA (0.46) XDHMEN1RAB9AKMT2A
SCHEMBL12989748 0.79 DGAT1 (0.39) XDHFFAR4

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 FAAH 1196/4885XDH 499/4885CHRM1 227/4885

“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.