SCHEMBL18027770

SCHEMBL18027770

COc1cc(C(=O)Nc2ccc(C)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 1/20 0.67
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TOP1 P11387 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
PKM P14618 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.55
ABCC1 P33527 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL9616929 0.90 AURKB (0.68) AURKBRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28707478 0.88 AURKB (0.67) AURKBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL17664663 0.88 MEN1 (0.72) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL18993429 0.87 AURKB (0.65) AURKBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10904567 0.87 AURKB (0.72) AURKBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL8348359 0.87 AURKB (0.64) AURKBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL13293386 0.85 AURKB (0.63) AURKBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL11315443 0.84 NPC1 (0.60) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL29077068 0.83 RAB9A (0.51) AURKBRAB9ANPC1KDM4EMEN1
SCHEMBL18010194 0.83 AURKB (0.61) AURKBRAB9ANPC1SMN1; SMN2TP53

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 AURKB 686/4885RAB9A 793/4885NPC1 1429/4885

“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.