SCHEMBL4584600

SCHEMBL4584600

CC([NH])c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
CA2 P00918 15/20 0.52
CA1 P00915 12/20 0.52
CA9 Q16790 11/20 0.52
CA12 O43570 10/20 0.52
CA5A P35218 6/20 0.52
CA7 P43166 6/20 0.52
CA5B Q9Y2D0 6/20 0.52
CA6 P23280 3/20 0.52
CA3 P07451 2/20 0.52
CA14 Q9ULX7 3/20 0.48
CA4 P22748 3/20 0.48
CA13 Q8N1Q1 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AGO2 Q9UKV8 1/20 0.48
HTT P42858 1/20 0.45

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
SCHEMBL84516 0.82 CA2 (0.68) ALDH1A1CA2CA1CA9CA12
Fluoride SCHEMBL28353367 0.80 CA2 (0.66) ALDH1A1CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL3532247 0.80 CA2 (0.66) ALDH1A1CA2CA1CA9CA12
SCHEMBL1186051 0.80 ALDH1A1 (0.62) ALDH1A1CA2CA1CA9CA12
SCHEMBL1790668 0.80 ALDH1A1 (0.62) ALDH1A1CA2CA1CA9CA12
SCHEMBL9423733 0.80 CA2 (0.66) ALDH1A1CA2CA1CA9CA12
SCHEMBL8248221 0.80 ALDH1A1 (0.62) ALDH1A1CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL2352018 0.78 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9CA12
SCHEMBL28575526 0.78 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9CA12
SCHEMBL12112205 0.78 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9CA12

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
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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 (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 ALDH1A1 1142/4885CA2 4444/4885CA1 4802/4885

“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.