SCHEMBL21510707

SCHEMBL21510707

CN[C@H](C(C)=O)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ MMP2 P08253 4/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ EPHX1 P07099 7/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ MAPK10 P53779 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MMP8 P22894 1/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL10442194 0.95 EPHX1 (0.37) MMP1MMP9MMP14MMP2MMP3
SCHEMBL10442162 0.95 EPHX1 (0.37) MMP1MMP9MMP14MMP2MMP3
SCHEMBL14028981 0.95 EPHX1 (0.37) MMP1MMP9MMP14MMP2MMP3
SCHEMBL10441975 0.93 EPHX1 (0.40) MMP1MMP9MMP14MMP2MMP3
SCHEMBL13979536 0.93 EPHX1 (0.40) MMP1MMP9MMP14MMP2MMP3
SCHEMBL10206346 0.91 — —
SCHEMBL14942950 0.91 — —
SCHEMBL23371625 0.85 MMP1 (0.43) MMP1MMP9MMP14MMP2MMP3
SCHEMBL14086614 0.83 CPN1 (0.40) MMP1MMP9MMP2MMP3EPHX1
SCHEMBL24964865 0.82 MMP2 (0.36) MMP1MMP9MMP14MMP2MMP3

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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 — — US disclosed
WO-2021254919-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-23 — — WO disclosed
EP-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 — — EP disclosed
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2021-05-20 — — US disclosed
WO-2019201432-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 — — WO disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 — — 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 (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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS MMP1 2876/4885MMP9 2480/4885MMP14 1758/4885
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII TFPI, F11, F13B MMP1 830/4885MMP9 183/4885MMP14 374/4885

“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.

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