SCHEMBL21995109

SCHEMBL21995109

O=C(O)NC(C(=O)N1CCN(C(=O)C(NC(=O)O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.52
F10 P00742 6/20 0.52
PRSS1 P07477 5/20 0.52
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
TACR1 P25103 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
CHRM1 P11229 3/20 0.45
CHRM3 P20309 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL16339449 0.93 KLRK1 (0.48) F2F10PRSS1GAATACR1
SCHEMBL16333491 0.89 SIGMAR1 (0.49) F2F10PRSS1TACR1ALDH1A1
SCHEMBL27978387 0.82 F10 (0.44) F2F10PRSS1ALDH1A1CYP2D6
SCHEMBL21315830 0.82 F10 (0.44) F2F10PRSS1ALDH1A1CYP2D6
SCHEMBL16973973 0.82 F10 (0.44) F2F10PRSS1ALDH1A1CYP2D6
SCHEMBL17764976 0.82 F10 (0.44) F2F10PRSS1ALDH1A1CYP2D6
SCHEMBL12486972 0.82 F10 (0.44) F2F10PRSS1ALDH1A1CYP2D6
SCHEMBL16339138 0.81 DPP4 (0.43) F2F10PRSS1TACR1ALDH1A1
SCHEMBL16333221 0.80 KLRK1 (0.39) F2F10PRSS1ALDH1A1KMT2A
SCHEMBL20434114 0.80 USP9X (0.47) F2F10PRSS1TACR1ALDH1A1

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 F2 1434/4885F10 2565/4885PRSS1 1816/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 F2 1434/4885F10 2565/4885PRSS1 1816/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 F2 1434/4885F10 2565/4885PRSS1 1816/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 F2 2403/4885F10 2844/4885PRSS1 1059/4885
US-11492361-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 F2 1482/4885F10 2388/4885PRSS1 1385/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 F2 2403/4885F10 2844/4885PRSS1 1059/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 F2 1482/4885F10 2388/4885PRSS1 1385/4885

“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.