SCHEMBL21524959

SCHEMBL21524959

Nc1ccc(NC(=O)CCCCC2SCC3NC(=O)NC32)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.78
CA1 P00915 6/20 0.78
CA2 P00918 6/20 0.78
CA9 Q16790 6/20 0.78
PTPRF P10586 2/20 0.61
PTPN2 P17706 2/20 0.61
PTPN1 P18031 2/20 0.61
TDP1 Q9NUW8 5/20 0.60
PKM P14618 2/20 0.60
MEN1 O00255 1/20 0.60
ABL1 P00519 1/20 0.60
LMNA P02545 1/20 0.60
IDE P14735 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
RIN1 Q13671 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SLC6A3 Q01959 2/20 0.56
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54

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
SCHEMBL12059001 0.94 CA12 (0.70) CA12CA1CA2CA9PTPRF
SCHEMBL12059002 0.89 CA12 (0.74) CA12CA1CA2CA9PTPRF
SCHEMBL18329586 0.89 CA12 (0.74) CA12CA1CA2CA9PTPRF
SCHEMBL19940249 0.89 CA12 (0.74) CA12CA1CA2CA9PTPRF
SCHEMBL14253654 0.89 CA12 (0.74) CA12CA1CA2CA9PTPRF
SCHEMBL23625183 0.89 CA12 (0.71) CA12CA1CA2CA9PTPRF
SCHEMBL18326514 0.89 CA12 (0.71) CA12CA1CA2CA9PTPRF
SCHEMBL18391007 0.88 CA12 (0.73) CA12CA1CA2CA9PTPRF
SCHEMBL6036966 0.88 CA12 (0.73) CA12CA1CA2CA9PTPRF
SCHEMBL3620407 0.88 CA12 (0.73) CA12CA1CA2CA9PTPRF

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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 US disclosed
US-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2022-04-07 US disclosed
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2021-11-02 US disclosed
US-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2020-12-17 US disclosed
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-31 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 (6 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-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES ACP1, PTMS, ALG1 CA12 525/4885CA1 1340/4885CA2 3722/4885
US-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP CA12 1660/4885CA1 2646/4885CA2 4473/4885
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PHOSPHO1, PFAS, PNKP CA12 1946/4885CA1 2842/4885CA2 4487/4885
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A CA12 3011/4885CA1 3274/4885CA2 4421/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP CA12 1660/4885CA1 2646/4885CA2 4473/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP CA12 1660/4885CA1 2646/4885CA2 4473/4885

“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.