SCHEMBL18027751

SCHEMBL18027751

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 2/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
POLB P06746 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
KLK7 P49862 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.52
PKM P14618 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL18993431 0.84 ALDH1A1 (0.53) ALDH1A1LMNATP53HPGDPOLB
SCHEMBL16692738 0.81 ALDH1A1 (0.49) ALDH1A1LMNATP53HPGDPOLB
SCHEMBL17664665 0.80 KLK7 (0.89) ALDH1A1LMNATP53HPGDPOLB
SCHEMBL18180861 0.78 RAB9A (0.70) ALDH1A1LMNATP53HPGDPOLB
SCHEMBL13451413 0.76 ALDH1A1 (0.62) ALDH1A1LMNATP53HPGDNPC1
SCHEMBL17616017 0.76 RAB9A (0.76) ALDH1A1LMNATP53POLBMEN1
SCHEMBL14409555 0.76 RAB9A (0.76) ALDH1A1LMNATP53POLBMEN1
SCHEMBL6828818 0.75 KLK7 (0.58) ALDH1A1LMNATP53HPGDPOLB
SCHEMBL4517366 0.75 NPC1 (0.51) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL22823037 0.74 SMN1; SMN2 (0.62) ALDH1A1LMNATP53HPGDPOLB

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 2 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

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 ALDH1A1 414/4885LMNA 4416/4885TP53 2588/4885

“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.