SCHEMBL6828818

SCHEMBL6828818

Cc1ccc(NC(=O)c2ccc(C=O)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.58
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 4/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ESR1 P03372 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 3/20 0.48
ATM Q13315 1/20 0.47
CSF1R P07333 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL18993430 0.84 KLK7 (0.50) KLK7ALDH1A1LMNAHPGDTP53
SCHEMBL7492014 0.84 RAB9A (0.55) KLK7ALDH1A1LMNAHPGDTP53
SCHEMBL7121858 0.84 ALDH1A1 (0.66) KLK7ALDH1A1LMNAHPGDTP53
SCHEMBL6829163 0.84 RAB9A (0.60) KLK7ALDH1A1LMNAHPGDTP53
SCHEMBL7129347 0.82 RAB9A (0.62) ALDH1A1LMNATP53NPC1RAB9A
SCHEMBL16692740 0.81 KLK7 (0.46) KLK7ALDH1A1LMNAHPGDTP53
SCHEMBL5777694 0.81 SAE1 (0.54) KLK7LMNAPOLBNPC1RAB9A
SCHEMBL17664665 0.80 KLK7 (0.89) KLK7ALDH1A1LMNAHPGDTP53
SCHEMBL6829197 0.80 POLB (0.55) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL18180861 0.78 RAB9A (0.70) KLK7ALDH1A1LMNAHPGDTP53

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-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
WO-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO 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-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 KLK7 3340/4885ALDH1A1 414/4885LMNA 4416/4885

“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.