SCHEMBL21176268

SCHEMBL21176268

CCCC(NC(=O)CN(C)C)C(=O)C(=O)NCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CTSK P43235 1/20 0.38
EPHX1 P07099 2/20 0.36
F10 P00742 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL19975217 0.78 SIGMAR1 (0.45) TSHRNPC1RAB9AALDH1A1LMNA
SCHEMBL19975548 0.77 TSHR (0.40) TSHRCTSKEPHX1CA12CA1
SCHEMBL19974762 0.72 SMN1; SMN2 (0.41) TSHRCTSKEPHX1CA12CA1
SCHEMBL19975525 0.71 NPC1 (0.43) TSHRNPC1RAB9AALDH1A1GAA
SCHEMBL19975283 0.68 CCR1 (0.49) CTSKF10NPC1RAB9ASMN1; SMN2
SCHEMBL16317018 0.68 PSEN1 (0.42) CTSKF10CHRNB2CHRNB4CHRNA3
SCHEMBL19975008 0.68 EPHX1 (0.44) TSHREPHX1CA12CA1CA2
SCHEMBL19975418 0.68 SMN1; SMN2 (0.42) TSHREPHX1CA12CA1CA2
SCHEMBL8175328 0.68 PSMB5 (0.37) SMN1; SMN2ALDH1A1GAAPSEN1PSEN2
SCHEMBL4057394 0.66 EPHX1 (0.45) EPHX1NPC1RAB9ASMN1; SMN2CHRNB2

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-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885CTSK 1083/4885EPHX1 372/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TSHR 4240/4885CTSK 1127/4885EPHX1 449/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885CTSK 1083/4885EPHX1 372/4885

“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.