SCHEMBL3993947

SCHEMBL3993947

[CH2]C(=O)NCCS(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL1303542 0.78 PTGS1 (0.36)
SCHEMBL10055320 0.78 CA2 (0.41) CA1CA2CA12CA9CA4
SCHEMBL3657984 0.78 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL3993954 0.76 KDM4E (0.48) CA1CA2CA12CA9CA4
SCHEMBL20444776 0.76 CA1 (0.40) CA1CA2CA12CA9CA4
SCHEMBL18072246 0.76 CA1 (0.40) CA1CA2CA12CA9CA4
SCHEMBL2334726 0.76 TSHR (0.48) CA1CA2CA12CA9CA4
SCHEMBL7772010 0.74 CA1 (0.50) CA1CA2CA12CA9CA4
SCHEMBL2126880 0.74 CA1 (0.43) CA1CA2CA12CA9CA4
SCHEMBL20942602 0.73 MEN1 (0.54) CA1CA2CA12CA9CA4

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
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US claimed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 WO claimed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS CA1 4573/4885CA2 4706/4885CA12 4732/4885

“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.