SCHEMBL5472899

SCHEMBL5472899

Nc1cccc(S(=O)(=O)N2CCSc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.50
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 4/20 0.44
PKLR P30613 1/20 0.44
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
NR1I2 O75469 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL5473977 0.92 KMT2A (0.45) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14976553 0.83 RORC (0.54) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5466669 0.80 LMNA (0.54) RORCALDH1A1MEN1KMT2ALMNA
SCHEMBL5467062 0.80 KMT2A (0.48) CYP3A4CYP2D6CYP2C9CYP2C19PKM
SCHEMBL14976781 0.78 MCOLN3 (0.45) RORCPKMCPT2CPT1ACPT1B
SCHEMBL31371562 0.77 MAPT (0.59) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5475972 0.77 AKR1C3 (0.66) PKMALDH1A1MEN1KMT2AATM
SCHEMBL4115320 0.75 KMT2A (0.72) ALDH1A1TSHRMEN1KMT2AATM
SCHEMBL5472746 0.74 KMT2A (0.67) ALDH1A1TSHRMEN1KMT2AATM
SCHEMBL25754848 0.74 NPC1 (0.62) CYP3A4CYP2D6CYP2C9CYP2C19PKM

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 4 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
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 RORC 450/4885CYP3A4 1715/4885CYP2D6 800/4885

“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.