SCHEMBL20539643

SCHEMBL20539643

CN(C)S(=O)(=O)NC(=O)CNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20539296 0.77 EPHX2 (0.37) CA2CYP2D6CYP2C19
SCHEMBL26607884 0.75 CA1 (0.50) CA1CA2ALDH1A1HPGD
SCHEMBL92830 0.74 CA1 (0.44) CA1CA2ALDH1A1HPGD
SCHEMBL20744203 0.72 CA1 (0.42) CA1CA2ALDH1A1HPGD
SCHEMBL12478349 0.72 CA1 (0.42) CA1CA2ALDH1A1HPGD
SCHEMBL16508793 0.71 HDAC3 (0.44) CA1CA2ALDH1A1
SCHEMBL12304211 0.69 ALDH1A1 (0.45) CA1CA2ALDH1A1HPGD
SCHEMBL15925034 0.69 CA1 (0.44) CA1CA2ALDH1A1HPGDCYP2C19
SCHEMBL16181432 0.68 ALDH1A1 (0.43) CA1CA2ALDH1A1HPGD
SCHEMBL19630967 0.67 CA1 (0.41) CA1CA2ALDH1A1HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 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 (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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CA1 2682/4885CA2 3721/4885ALDH1A1 104/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CA1 2682/4885CA2 3721/4885ALDH1A1 104/4885

“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.