SCHEMBL1638181

SCHEMBL1638181

COCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.75
CA2 P00918 13/20 0.75
CA9 Q16790 13/20 0.75
CA12 O43570 6/20 0.75
CA14 Q9ULX7 2/20 0.68
CA7 P43166 1/20 0.68
FKBP1A P62942 3/20 0.64
PTGER3 P43115 1/20 0.63
HTR3A P46098 2/20 0.60

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
SCHEMBL12675190 0.92 CA1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL14642801 0.91 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL19426705 0.91 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL13219607 0.90 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL14032186 0.90 CA9 (0.67) CA1CA2CA9CA12CA14
SCHEMBL13815114 0.90 CA1 (0.71) CA1CA2CA9CA12CA14
SCHEMBL13609838 0.90 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL12185092 0.89 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL12608907 0.89 CA9 (0.76) CA1CA2CA9CA12CA14
SCHEMBL12678101 0.89 CA9 (0.72) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016952-B2 Methods of preparing a monodisperse oligo(ethylene glycol) reagent composition NEKTAR THERAPEUTICS (US) 2024-06-25 US disclosed
US-20170095565-A1 CHEMICALLY MODIFIED SMALL MOLECULES REDHILL BIOPHARMA LTD. (IL) 2017-04-06 US disclosed
US-9388104-B2 Chemically modified small molecules NEKTAR THERAPEUTICS (US) 2016-07-12 US disclosed
US-20150197470-A9 CHEMICALLY MODIFIED SMALL MOLECULES NEKTAR THERAPEUTICS (US) 2015-07-16 US disclosed
US-20140303403-A1 CHEMICALLY MODIFIED SMALL MOLECULES NEKTAR THERAPEUTICS (US) 2014-10-09 US disclosed
US-20120088745-A1 CHEMICALLY MODIFIED SMALL MOLECULES NEKTAR THERAPEUTICS 2012-04-12 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 (5 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-20170095565-A1 CHEMICALLY MODIFIED SMALL MOLECULES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CD44, PLG CA1 1388/4885CA2 2227/4885CA9 650/4885
US-20120088745-A1 CHEMICALLY MODIFIED SMALL MOLECULES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CD44, PLG CA1 1388/4885CA2 2227/4885CA9 650/4885
US-20150197470-A9 CHEMICALLY MODIFIED SMALL MOLECULES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CD44, PLG CA1 1388/4885CA2 2227/4885CA9 650/4885
US-20140303403-A1 CHEMICALLY MODIFIED SMALL MOLECULES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CD44, PLG CA1 1388/4885CA2 2227/4885CA9 650/4885
US-12016952-B2 Methods of preparing a monodisperse oligo(ethylene glycol) reagent composition POLM, OGG1, COPE CA1 2271/4885CA2 3596/4885CA9 2483/4885

“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.