SCHEMBL4585303

SCHEMBL4585303

NCc1ccc(S(N)(=O)=O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.63
CA1 P00915 12/20 0.58
CA9 Q16790 6/20 0.58
CA12 O43570 3/20 0.58
CA4 P22748 3/20 0.58
CA6 P23280 3/20 0.58
CA5A P35218 3/20 0.58
CA7 P43166 3/20 0.58
CA14 Q9ULX7 3/20 0.58
CA5B Q9Y2D0 3/20 0.58
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL19938066 0.85 CA2 (0.63) CA2CA1CA9CA12CA4
SCHEMBL3102634 0.83 CA2 (0.71) CA2CA1CA9CA12CA4
SCHEMBL27350533 0.83 CA2 (0.61) CA2CA1CA9CA12CA4
SCHEMBL3751833 0.83 CA2 (0.45) CA2CA1CA9CA12CA4
SCHEMBL4585294 0.83 CA2 (0.61) CA2CA1CA9CA12CA4
SCHEMBL24517597 0.83 CA2 (0.61) CA2CA1CA9CA12CA4
SCHEMBL31451688 0.83 CA2 (0.61) CA2CA1CA9CA12CA4
SCHEMBL14668761 0.82 CA2 (0.52) CA2CA1CA9CA12CA4
SCHEMBL24669188 0.82 CA2 (0.49) CA2CA1CA9CA12CA4
Hydrochloric Acid SCHEMBL19859251 0.81 CA2 (0.44) CA2CA1CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
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 (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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CA2 2606/4885CA1 1794/4885CA9 2415/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP CA2 4444/4885CA1 4802/4885CA9 4708/4885

“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.