SCHEMBL18514932

SCHEMBL18514932

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HTT P42858 4/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
GAA P10253 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP1A2 P05177 1/20 0.32

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 0.92 KMT2A (0.33) PKMALDH1A1HTTLMNAKMT2A
SCHEMBL18514265 0.90 FFAR4 (0.35) MRGPRX4HTTLMNAKMT2AMEN1
SCHEMBL18514268 0.90 HTT (0.34) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL18513923 0.89 MAPT (0.41) ALDH1A1LMNAKMT2AMAPTNPC1
SCHEMBL18514253 0.89 MEN1 (0.37) MRGPRX4ALDH1A1HTTLMNAKMT2A
SCHEMBL18515001 0.88 ALDH1A1 (0.38) PKMMRGPRX4ALDH1A1TNKS2HTT
SCHEMBL18514547 0.88 PKM (0.37) PKMALDH1A1HTTLMNAKMT2A
SCHEMBL18514521 0.88 MRGPRX4 (0.39) MRGPRX4ALDH1A1TNKS2HTTLMNA
SCHEMBL18514931 0.88 ALDH1A1 (0.43) PKMALDH1A1TNKS2HTTLMNA
SCHEMBL18514977 0.87 LMNA (0.42) PKMALDH1A1HTTLMNAKMT2A

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 PKM 1994/4885MRGPRX4 959/4885ALDH1A1 1238/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 PKM 3037/4885MRGPRX4 778/4885ALDH1A1 1416/4885

“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.