SCHEMBL18514548

SCHEMBL18514548

CCc1ccc(OCc2c(NC(=S)OC)cccc2C(F)(F)F)c(C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 3/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GAA P10253 2/20 0.31
ATM Q13315 1/20 0.31
FGFR4 P22455 1/20 0.31

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
SCHEMBL18514546 0.89 KMT2A (0.33) KMT2ALMNATP53MEN1MAPT
SCHEMBL18514561 0.89 MRGPRX4 (0.42) MRGPRX4L3MBTL1KMT2ALMNATP53
SCHEMBL18514559 0.89 MRGPRX4 (0.39) MRGPRX4L3MBTL1KMT2ALMNATP53
SCHEMBL18514538 0.89 MRGPRX4 (0.39) MRGPRX4KMT2ALMNATP53RXFP1
SCHEMBL18514552 0.88 KMT2A (0.38) KMT2ALMNAMEN1MAPTHTT
SCHEMBL18514544 0.87 KMT2A (0.37) KMT2ALMNATP53MEN1MAPT
SCHEMBL18514550 0.87 HTT (0.34) KMT2ALMNATP53MEN1MAPT
SCHEMBL18514547 0.87 PKM (0.37) KMT2ALMNAHPGDMEN1MAPT
SCHEMBL18514543 0.87 SLC22A12 (0.35) L3MBTL1KMT2ALMNATP53HPGD
SCHEMBL18514984 0.87 MRGPRX4 (0.37) MRGPRX4L3MBTL1KMT2ALMNATP53

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-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 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 (2 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 MRGPRX4 959/4885L3MBTL1 35/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885L3MBTL1 77/4885KMT2A 1447/4885

“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.