SCHEMBL5109986

SCHEMBL5109986

CC(C)N(c1ccc(CN)cc1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
LOXL2 Q9Y4K0 4/20 0.35
ABAT P80404 1/20 0.34
AKT2 P31751 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL5109984 0.81 L3MBTL1 (0.36) MAPTSMN1; SMN2ESR1
SCHEMBL2993431 0.79 ALDH1A1 (0.43) CA1CA2CA9CA12CA4
SCHEMBL955246 0.77 PSIP1 (0.47) PSIP1CA1CA2CA9CA12
SCHEMBL6325501 0.75 HSD11B1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL8224812 0.75 HSD11B1 (0.40) CA1CA2ESR1
SCHEMBL1685447 0.74 HRH3 (0.44) PSIP1CA1CA2CA9CA12
SCHEMBL2695402 0.74 ESR1 (0.55) CA2CA9CA12SMN1; SMN2ESR1
SCHEMBL1355880 0.71 ESR1 (0.36) KDM4ESMN1; SMN2ESR1
SCHEMBL8926661 0.69 LMNA (0.37) KDM4EESR1
SCHEMBL2995730 0.69 L3MBTL1 (0.49) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed

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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PSIP1 1173/4885CA1 4802/4885CA2 4444/4885

“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.