SCHEMBL6739381

SCHEMBL6739381

O=C(NCc1ccccc1)c1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(CCC3CC3)c1=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.60
NR1I2 O75469 1/20 0.60
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.41
USP2 O75604 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RORC P51449 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6732235 0.90 CYP2C9 (0.63) CYP2C9NR1I2MAPK1HSD17B10USP2
SCHEMBL6209607 0.90 CYP2C9 (0.66) CYP2C9NR1I2MAPK1HSD17B10KDM4E
SCHEMBL6273626 0.85 CYP2C9 (0.63) CYP2C9NR1I2MAPK1HSD17B10MAPT
SCHEMBL6693292 0.85 CYP2C9 (0.70) CYP2C9NR1I2MAPK1HSD17B10POLB
SCHEMBL6736317 0.85 CYP2C9 (0.62) CYP2C9NR1I2MAPK1HSD17B10
SCHEMBL6732547 0.84 CYP2C9 (0.69) CYP2C9NR1I2MAPK1HSD17B10POLB
SCHEMBL6237855 0.84 CYP2C9 (0.66) CYP2C9NR1I2MAPK1HSD17B10POLB
SCHEMBL6209924 0.83 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10SMN1; SMN2
SCHEMBL6739156 0.83 CYP2C9 (0.59) CYP2C9NR1I2MAPK1HSD17B10RAB9A
SCHEMBL6738292 0.81 CYP2C9 (0.65) CYP2C9NR1I2MAPK1HSD17B10POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed

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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 CYP2C9 1218/4885NR1I2 1798/4885MAPK1 3699/4885

“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.