SCHEMBL1531671

SCHEMBL1531671

O=C(O)NC(C1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PLAU P00749 1/20 0.41
HPN P05981 1/20 0.41
EPHX1 P07099 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL12446946 0.82 ABCB1 (0.42) EPHX2KMT2A
SCHEMBL30921215 0.80 ABCB1 (0.43) KMT2A
SCHEMBL15167078 0.76 ALDH1A1 (0.54) POLBALDH1A1PLAUHPNLMNA
SCHEMBL3409968 0.76 NLRP3 (0.46)
SCHEMBL27182872 0.74 POLB (0.42) EPHX2POLBRAB9AALDH1A1PLAU
SCHEMBL10100455 0.73 RECQL (0.46) EPHX2POLBRAB9AALDH1A1PLAU
SCHEMBL22499173 0.72 ADORA3 (0.43) EPHX2POLBALDH1A1PLAUHPN
SCHEMBL8396374 0.72 ALDH1A1 (0.44) EPHX2POLBRAB9AALDH1A1PLAU
SCHEMBL12391278 0.72 ALDH1A1 (0.47) EPHX2POLBRAB9AALDH1A1EPHX1
SCHEMBL8392594 0.72 ALDH1A1 (0.44) EPHX2POLBRAB9AALDH1A1PLAU

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 EPHX2 1797/4885POLB 4236/4885RAB9A 2035/4885

“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.