SCHEMBL2043151

SCHEMBL2043151

Nc1ccc(S(=O)(=O)c2ccc(N=Nc3ccc(N(CCO)CCO)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
HTR6 P50406 2/20 0.46
LMNA P02545 1/20 0.46
MPO P05164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
PKM P14618 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14184216 0.93 NPC1 (0.43) CA12CA2CA9LMNATSHR
SCHEMBL1011782 0.88 MAPT (0.52) CA12CA2CA9LMNACYP3A4
SCHEMBL4931488 0.88 MAPT (0.52) CA12CA2CA9LMNACYP3A4
SCHEMBL9021165 0.84 CA2 (0.59) CA12CA2CA9LMNACYP3A4
Water SCHEMBL9124133 0.82 CA2 (0.58) CA12CA2CA9LMNACYP3A4
Hydrochloric Acid SCHEMBL9021424 0.82 CA2 (0.58) CA12CA2CA9LMNACYP3A4
SCHEMBL12659719 0.81 PTGS2 (0.47) CA12CA2CA9KMT2ANPC1
SCHEMBL7769130 0.81 NPC1 (0.41) CA12CA2CA9LMNATSHR
SCHEMBL7769131 0.81 NPC1 (0.41) CA12CA2CA9LMNATSHR
Sulfuric Acid SCHEMBL624610 0.80 ALDH1A1 (0.45) CA12CA2CA9HTR6LMNA

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
US-9029492-B2 Superconducting electrolytic hybrid material, and preparation method and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-05-12 US disclosed
US-8357817-B2 Sulfone hybrid precursor, method of synthesizing same, and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 US disclosed
US-20110190526-A1 SULFONE HYBRID PRECURSOR, METHOD OF SYNTHESIZING SAME, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-08-04 US disclosed
US-20110159406-A1 SUPERCONDUCTING ELECTROLYTIC HYBRID MATERIAL, AND PREPARATION METHOD AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-06-30 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-20110190526-A1 SULFONE HYBRID PRECURSOR, METHOD OF SYNTHESIZING SAME, AND USES THEREOF STOM, NSF, SDCBP CA12 42/4885CA2 132/4885CA9 300/4885

“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.