SCHEMBL12899899

SCHEMBL12899899

Cc1ccc(COC(=O)C(N)CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ AGXT P21549 2/20 0.43
▸ CTSK P43235 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL12214521 1.00 MMP2 (0.44) MMP2MMP12MMP1MMP9NPC1
Toluene SCHEMBL27746059 0.89 ANPEP (0.48) CTSKCTSLALDH1A1ANPEP
SCHEMBL12214484 0.86 CYP3A4 (0.48) MMP2MMP12MMP1MMP9RAB9A
SCHEMBL355730 0.85 ALDH1A1 (0.53) CTSKCTSLALDH1A1TDP1L3MBTL1
SCHEMBL353695 0.85 ALDH1A1 (0.53) CTSKCTSLALDH1A1TDP1L3MBTL1
SCHEMBL728728 0.85 ALDH1A1 (0.53) CTSKCTSLALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9697973 0.84 ALDH1A1 (0.51) CTSKCTSLALDH1A1ANPEP
Hydrochloric Acid SCHEMBL1810902 0.84 ALDH1A1 (0.51) CTSKCTSLALDH1A1ANPEP
Hydrochloric Acid SCHEMBL7365467 0.84 ALDH1A1 (0.51) CTSKCTSLALDH1A1ANPEP
SCHEMBL12238544 0.83 SLC7A5 (0.37) CTSKCTSLCA1CA2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4112611-A2 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2023-01-04 — — EP disclosed
US-7893023-B2 Prodrugs activated by plasmin and their use in cancer chemotherapy MEDAREX, INC. (US) 2011-02-22 — — US disclosed
US-20090076176-A1 Prodrugs activated by plasmin and their use in cancer chemotherapy MEDAREX, INC. (US) 2009-03-19 — — US disclosed
US-7402556-B2 Prodrugs activated by plasmin and their use in cancer chemotherapy MEDAREX, INC. (US) 2008-07-22 — — 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 (1 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-20090076176-A1 Prodrugs activated by plasmin and their use in cancer chemotherapy PLG, PLAT, DNPEP MMP2 56/4885MMP12 90/4885MMP1 314/4885

“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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