SCHEMBL14213987

SCHEMBL14213987

Cc1ccc(S(=O)(=O)OCc2cc(Br)co2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
STAT3 P40763 2/20 0.36
CA2 P00918 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL14213989 0.86 CA12 (0.41) CA12CA1CA9STAT3CA2
SCHEMBL14213988 0.84 CA12 (0.40) CA12CA1CA9STAT3CA2
SCHEMBL7909564 0.74 CA2 (0.54) CA12CA1CA9STAT3CA2
SCHEMBL29187468 0.73 CYP1A2 (0.59) KMT2AMEN1ALDH1A1CYP2C19CYP3A4
SCHEMBL16388122 0.72 MEN1 (0.48) CA12CA1CA9STAT3KMT2A
SCHEMBL22575360 0.72 NAMPT (0.48) CA12CA1CA9STAT3CA2
SCHEMBL378265 0.72 PTGS2 (0.38) CA12CA1CA9STAT3CA2
SCHEMBL464388 0.72 MEN1 (0.43) CA12CA1CA9STAT3KMT2A
SCHEMBL27246864 0.71 EDNRB (0.39) CA12CA1CA9STAT3CA2
SCHEMBL6859827 0.71 CA2 (0.63) CA12CA1CA9STAT3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-03-29 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 (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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC CA12 3235/4885CA1 2436/4885CA9 2871/4885
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same PCNA, DCX, HPGDS CA12 2583/4885CA1 1427/4885CA9 2674/4885

“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.