SCHEMBL6199820

SCHEMBL6199820

Cc1cccc2c1C(=O)C(O)(O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 1.00
CA2 P00918 14/20 1.00
CA7 P43166 14/20 1.00
CA9 Q16790 14/20 1.00
RECQL P46063 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
BACE1 P56817 1/20 0.56
EHMT2 Q96KQ7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA4 P22748 2/20 0.46
MYC P01106 1/20 0.43
PDK2 Q15119 1/20 0.42
DAO P14920 1/20 0.40
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL28285608 0.80 CA1 (0.67) CA1CA2CA7CA9RECQL
SCHEMBL11324259 0.78 CA1 (0.64) CA1CA2CA7CA9RECQL
SCHEMBL15642543 0.78 CA1 (1.00) CA1CA2CA7CA9RECQL
SCHEMBL8665649 0.76 CA1 (1.00) CA1CA2CA7CA9RECQL
SCHEMBL27641878 0.76 CA1 (0.63) CA1CA2CA7CA9RECQL
SCHEMBL24756654 0.75 CA1 (0.61) CA1CA2CA7CA9RECQL
SCHEMBL28478368 0.74 CA1 (0.61) CA1CA2CA7CA9RECQL
SCHEMBL1886422 0.74 CA1 (0.58) CA1CA2CA7CA9ALDH1A1
Methyl Alcohol SCHEMBL3930226 0.73 CA1 (0.90) CA1CA2CA7CA9RECQL
SCHEMBL28294854 0.73 CA1 (0.58) CA1CA2CA7CA9RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296985-B1 HETEROPOLYCYCLIC INHIBITORS QUADRA LOGIC TECH INC (CA) 2005-06-01 EP disclosed
US-20030144294-A1 Heteropolycyclic inhibitors of protein kinases QLT INC. (CA) 2003-07-31 US disclosed
EP-1296985-A2 HETEROPOLYCYCLIC INHIBITORS Kinetek Pharmaceuticals, Inc. (CA) 2003-04-02 EP disclosed
US-6514972-B2 Antiproliferative agents KINETEK PHARMACEUTICALS, INC. (CA) 2003-02-04 US disclosed
US-20020035251-A1 Heteropolycyclic inhibitors of protein kinases KINETEK PHARMACEUTICALS, INC. (CA) 2002-03-21 US disclosed
WO-2002002562-A2 HETEROPOLYCYCLIC INHIBITORS KINETEK PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 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-20020035251-A1 Heteropolycyclic inhibitors of protein kinases DSTYK, PRKCZ, CSNK1A1L CA1 3734/4885CA2 1684/4885CA7 4283/4885
US-20030144294-A1 Heteropolycyclic inhibitors of protein kinases DSTYK, PRKCZ, CSNK1A1L CA1 3734/4885CA2 1684/4885CA7 4283/4885

“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.