Sugi Predict

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SCHEMBL3114046

SCHEMBL3114046

CC(C)OC(=O)c1cc(Cl)cc(C(=O)N(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.39
▸ CA12 O43570 5/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA7 P43166 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA14 Q9ULX7 5/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ XPO1 O14980 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31427618 0.89 ALDH1A1 (0.50) ALDH1A1MAPTCA12CA1CA2
SCHEMBL13267993 0.86 MAPT (0.41) ALDH1A1MAPTCA12CA1CA2
SCHEMBL9637797 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14780958 0.81 ALDH1A1 (0.37) ALDH1A1MAPTCA12CA1CA2
SCHEMBL23998413 0.80 KMT2A (0.43) ALDH1A1MAPTCA12CA1CA2
SCHEMBL30250540 0.80 KMT2A (0.43) ALDH1A1MAPTCA12CA1CA2
SCHEMBL3114218 0.75 ALDH1A1 (0.39) ALDH1A1MAPTCA12CA1CA2
SCHEMBL31427607 0.72 ALDH1A1 (0.46) ALDH1A1MAPTCA12CA1CA2
SCHEMBL3105187 0.72 NPC1 (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL11026722 0.70 CA12 (0.43) ALDH1A1MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 — — EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 — — US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 — — US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 — — US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 — — US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 — — US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 — — 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 (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-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR ALDH1A1 419/4885MAPT 2041/4885CA12 1063/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 ALDH1A1 502/4885MAPT 3374/4885CA12 4881/4885

“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.