SCHEMBL4905925

SCHEMBL4905925

CCC(Oc1ccccc1)S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
SOS1 Q07889 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PSIP1 O75475 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
MAPT P10636 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
SCHEMBL22683426 0.82 CA12 (0.33) CA1CA2CA9TSHRCA12
SCHEMBL5704313 0.81 MTNR1A (0.40) MTNR1AMTNR1BLMNAHTTPSIP1
SCHEMBL16710177 0.80 PPARG (0.45) CA1CA2CA9
SCHEMBL8552661 0.77 LMNA (0.37) MTNR1AMTNR1BLMNAHTTPSIP1
SCHEMBL6238677 0.75 CA1 (0.41) CA1CA2CA9SOS1MTNR1A
SCHEMBL15334333 0.75 SCN4A (0.40) CA1CA2CA9LMNATSHR
SCHEMBL28040936 0.75 CA1 (0.48) CA1CA2CA9SOS1MTNR1A
SCHEMBL10704667 0.73 MTNR1A (0.40) CA1CA2CA9MTNR1AMTNR1B
SCHEMBL5704304 0.71 SMN1; SMN2 (0.42) MTNR1AMTNR1BLMNAALDH1A1SMN1; SMN2
SCHEMBL4909462 0.71 MAPT (0.42) LMNAALDH1A1TSHRSMN1; SMN2MAPT

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-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed
US-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration HUTCHISON MEDIPHARMA ENTERPRISES LIMETED (BS) 2008-10-16 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-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration CCND2, KDR, FLT4 CA1 4855/4885CA2 4618/4885CA9 3469/4885

“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.