SCHEMBL1531674

SCHEMBL1531674

O=C(O)N(CC1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.53
ALOX5 P09917 2/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 1/20 0.47
TAS2R14 Q9NYV8 3/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL25702598 0.80 KMT2A (0.49) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL15858905 0.76 ATM (0.42) PTGESKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3482958 0.76 PTGES (0.53) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL27729713 0.75 MMP3 (0.57) PTGESALOX5ALDH1A1TAS2R14HTR2A
SCHEMBL3483152 0.74 PTGES (0.51) PTGESALOX5KDM4EMEN1ALDH1A1
Bicarbonate SCHEMBL15225927 0.72 RAB9A (0.54) ALDH1A1KMT2APOLBRAB9A
Bicarbonate SCHEMBL9058314 0.71 PTGES (0.48) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL3968836 0.71 NPSR1 (0.58) KDM4EMEN1ALDH1A1KMT2AESR1
SCHEMBL8773484 0.70 HDAC1 (0.61) PTGESKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12077868 0.70 TAS2R14 (0.52) PTGESKDM4EMEN1ALDH1A1KMT2A

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
EP-2292639-B1 Tubulisine derivatives as anticancer drugs KEMOTECH S R L (IT) 2014-09-03 EP disclosed
US-8580820-B2 Tubulysin compounds with high cytotoxicity, pharmaceutical compositions thereof, and method of use thereof KEMTECH S.R.L. (IT) 2013-11-12 US disclosed
US-20110200581-A1 PHARMACEUTICAL COMPOSITIONS KEMOTECH S.r.I (IT) 2011-08-18 US disclosed
EP-2292639-A1 Tubulisine derivatives as anticancer drugs Kemotech S.r.l. (IT) 2011-03-09 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 (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-20110200581-A1 PHARMACEUTICAL COMPOSITIONS NR1H3, NR1H2, CCR8 PTGES 4442/4885ALOX5 1241/4885KDM4E 2191/4885

“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.