SCHEMBL11900908

SCHEMBL11900908

O=C(OCc1ccc(OC(F)(F)F)c(Cl)c1)N1CCN(CC[S+]([O-])c2ccc3nn[nH]c3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 3/20 0.37
ENPP2 Q13822 9/20 0.35
ATXN2 Q99700 5/20 0.35
DGAT2 Q96PD7 1/20 0.34
PDE5A O76074 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11900910 1.00 FNTA (0.37) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL11962599 0.94 FNTA (0.35) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL17901196 0.90 FNTA (0.34) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL1670770 0.90 PDE5A (0.33) PDE5APTGDR2S1PR1
SCHEMBL11899288 0.89 ENPP2 (0.36) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL11899289 0.89 ENPP2 (0.36) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL11899245 0.89 ENPP2 (0.44) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL11898882 0.89 ENPP2 (0.44) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL11962602 0.88 ENPP2 (0.35) FNTAFNTBPGGT1BENPP2ATXN2
SCHEMBL11962574 0.86 ENPP2 (0.44) ENPP2ATXN2KCNH2SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552001-B2 Sulfoxide derivatives for the treatment of tumors MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8552001-B2 Sulfoxide derivatives for the treatment of tumors MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8552001-B2 Sulfoxide derivatives for the treatment of tumors MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent Gesellschaft mit beschrankter Hafung (DE) 2012-08-09 US disclosed
US-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent Gesellschaft mit beschrankter Hafung (DE) 2012-08-09 US disclosed
US-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent Gesellschaft mit beschrankter Hafung (DE) 2012-08-09 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-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS TP53, MGMT, VHL FNTA 3813/4885FNTB 2233/4885PGGT1B 2517/4885

“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.