SCHEMBL5828166

SCHEMBL5828166

Nc1cccc(S(=O)(=O)N2CCOC(=O)c3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.51
HTR6 P50406 7/20 0.46
KCNA3 P22001 1/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKLR P30613 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H3 Q13133 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL25754848 0.85 NPC1 (0.62) PKMHTR6NPC1CYP3A4CYP2D6
SCHEMBL5472525 0.81 LMNA (0.52) HTR6ALDH1A1MEN1KMT2A
SCHEMBL5468990 0.78 PKM (0.57) PKMNPC1CYP3A4CYP2D6CYP2C9
SCHEMBL5475979 0.78 PKM (0.48) PKMCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23847013 0.76 NR1H3 (0.53) PKMHTR6NPC1ALDH1A1MEN1
SCHEMBL25754845 0.76 PKM (0.52) PKMHTR6NPC1CYP2C9ALDH1A1
SCHEMBL23847011 0.76 PKM (0.52) PKMHTR6NPC1CYP3A4CYP2D6
SCHEMBL5475972 0.75 AKR1C3 (0.66) PKMALDH1A1MEN1KMT2AATM
SCHEMBL5461874 0.74 NPSR1 (0.52) HTR6KCNA3NPC1CYP3A4CYP2D6
SCHEMBL4115320 0.73 KMT2A (0.72) ALDH1A1MEN1KMT2ATSHRATM

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
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 PKM 4095/4885HTR6 495/4885KCNA3 1766/4885

“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.