SCHEMBL21995298

SCHEMBL21995298

C#CCNC(=O)[C@@H](NC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 1/20 0.50
CTSL P07711 1/20 0.49
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TACR1 P25103 2/20 0.41
TACR3 P29371 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19471121 1.00 CTSS (0.50) CTSSCTSKCTSLF2F10
SCHEMBL6184348 0.84 CTSS (0.68) CTSSCTSKCTSL
SCHEMBL29527373 0.82 CTSS (0.77) CTSSCTSKCTSL
SCHEMBL17881889 0.82 CTSS (0.77) CTSSCTSKCTSL
SCHEMBL28652947 0.82 CTSS (0.77) CTSSCTSKCTSL
SCHEMBL6438579 0.80 CNR1 (0.59) MEN1KMT2A
SCHEMBL21606787 0.79 NAALAD2 (0.51) ALDH1A1
SCHEMBL21606805 0.79 NAALAD2 (0.51) ALDH1A1
SCHEMBL21995195 0.79 MEN1 (0.60) F2F10PRSS1MEN1KMT2A
SCHEMBL4793272 0.79 KMT2A (0.56) CTSSCTSLF2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4342473-A2 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-03-27 EP disclosed
US-20240051972-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-15 US disclosed
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-11492361-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-08 US disclosed
US-20220119417-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-21 US disclosed
EP-3886987-A1 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-10-06 EP disclosed
US-20210009609-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-14 US disclosed
US-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 US disclosed
US-20200299309-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 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 (7 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-20220119417-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 CTSS 1451/4885CTSK 2213/4885CTSL 1014/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 CTSS 1451/4885CTSK 2213/4885CTSL 1014/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 CTSS 1451/4885CTSK 2213/4885CTSL 1014/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 CTSS 1799/4885CTSK 2449/4885CTSL 1431/4885
US-11492361-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 CTSS 1287/4885CTSK 2101/4885CTSL 922/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 CTSS 1799/4885CTSK 2449/4885CTSL 1431/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 CTSS 1287/4885CTSK 2101/4885CTSL 922/4885

“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.