SCHEMBL12356643

SCHEMBL12356643

O=C(/C=C/c1ccc(S(F)(F)(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.76
MAPT P10636 5/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
RAB9A P51151 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
NPC1 O15118 3/20 0.72
POLB P06746 2/20 0.72
ALDH1A1 P00352 1/20 0.72
MAPK1 P28482 2/20 0.68
TSHR P16473 1/20 0.68
MTOR P42345 1/20 0.68
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58

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
SCHEMBL2246169 1.00 TRPV1 (0.76) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL13675903 0.86 TRPV1 (1.00) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL16692728 0.86 KDM4E (0.72) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL18010056 0.86 KDM4E (0.72) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL14566157 0.85 TRPV1 (0.79) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL13675900 0.84 TRPV1 (1.00) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL13675902 0.84 TRPV1 (1.00) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL13675796 0.84 TRPV1 (0.77) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL13675907 0.84 TRPV1 (1.00) TRPV1MAPTMEN1KMT2ARAB9A
SCHEMBL13675914 0.84 TRPV1 (0.77) TRPV1MAPTMEN1KMT2ARAB9A

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-7994167-B2 Pentafluorosulphanyl-substituted compound and its use for producing medicaments GRUENENTHAL GMBH (DE) 2011-08-09 US disclosed
US-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments GRUENENTHAL GMGH (DE) 2009-05-28 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-20090137594-A1 Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments FIBP, PFAS, FPR3 TRPV1 445/4885MAPT 3864/4885MEN1 624/4885

“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.