SCHEMBL1748405

SCHEMBL1748405

O=S(=O)(CF)c1cccc(S(=O)(=O)CF)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
PSIP1 O75475 1/20 0.41
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
EPAS1 Q99814 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL19192881 0.85 KMT2A (0.55) ALDH1A1KMT2AMEN1
SCHEMBL6726327 0.85 ATM (0.45) CA1CA2KMT2AMEN1L3MBTL1
SCHEMBL491319 0.82 PSIP1 (0.61) CA1CA2ALDH1A1SMN1; SMN2TSHR
SCHEMBL4416606 0.80 ALDH1A1 (0.56) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL17263850 0.77 PSIP1 (0.68) CA1CA2ALDH1A1SMN1; SMN2TSHR
SCHEMBL9615420 0.75 CA1 (0.48) CA1CA2ALDH1A1SMN1; SMN2TSHR
SCHEMBL9303097 0.75 PNMT (0.44) CA1CA2ALDH1A1SMN1; SMN2TSHR
SCHEMBL21241451 0.72 HTR2C (0.36) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL55285 0.71 CA1 (0.44) CA1CA2ALDH1A1SMN1; SMN2TSHR
SCHEMBL10571503 0.70 CA2 (0.55) CA1CA2ALDH1A1SMN1; SMN2TSHR

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-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO 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 (2 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B CA1 4885/4885CA2 4851/4885ALDH1A1 1488/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B CA1 4885/4885CA2 4851/4885ALDH1A1 1488/4885

“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.