SCHEMBL1106438

SCHEMBL1106438

COc1ccc(=O)n(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PDE10A Q9Y233 1/20 0.38
BACE1 P56817 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MGLL Q99685 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
BRD4 O60885 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL27265203 0.85 BACE1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL27253823 0.79 ALDH1A1 (0.42) BACE1ALDH1A1LMNAHTTADORA2A
SCHEMBL21475871 0.73 RXFP1 (0.46) PDE10ATDP1MAPTALDH1A1KDM4E
SCHEMBL1155718 0.72 BRD4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL20744271 0.72 TAS2R14 (0.54) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL4585007 0.72 ADORA2A (0.74) PDE10AMAPTALDH1A1ADORA2AADORA1
SCHEMBL506044 0.71 ADORA2A (0.38) ALDH1A1LMNAHTTADORA2AADORA1
SCHEMBL1106476 0.71 ADORA2A (0.51) BRD4ADORA2AADORA1
SCHEMBL1106469 0.71 PTGDR2 (0.42) TDP1MAPTALDH1A1GAAKDM4E
SCHEMBL20048155 0.71 ADORA2A (0.44) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-04 US disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2024062089-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (4 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CA12 489/4885CA1 246/4885CA2 698/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 CA12 2207/4885CA1 3414/4885CA2 4099/4885
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 CA12 2180/4885CA1 2778/4885CA2 4019/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CA12 489/4885CA1 246/4885CA2 698/4885

“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.