SCHEMBL13801972

SCHEMBL13801972

Cc1cccc2c1C(=O)NCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.43
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
MAP3K14 Q99558 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
HSP90AA1 P07900 1/20 0.34
ROS1 P08922 1/20 0.34

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
SCHEMBL12714478 0.83 FABP6 (0.43) FABP6PARP1ALDH1A1GAAHSD17B10
SCHEMBL19667149 0.80 FABP6 (0.43) FABP6PARP1ALDH1A1HSD17B10MAPT
SCHEMBL29964533 0.80 FABP6 (0.50) FABP6ALDH1A1GAAHSD17B10MAPT
SCHEMBL15830752 0.80 FABP6 (0.46) FABP6PARP1PARP10PARP11ALDH1A1
SCHEMBL20778164 0.78 FABP6 (0.48) FABP6PARP1PARP10PARP11ALDH1A1
SCHEMBL19679352 0.75 FABP6 (0.42) FABP6PARP1PARP10ALDH1A1GAA
SCHEMBL3115776 0.75 ALDH1A1 (0.44) FABP6PARP1PARP10PARP11ALDH1A1
SCHEMBL15814029 0.74 FABP6 (0.44) FABP6PARP10PARP11ALDH1A1GAA
SCHEMBL19679348 0.74 FABP6 (0.41) FABP6PARP1PARP10PARP11ALDH1A1
SCHEMBL27648118 0.74 PARP1 (0.41) FABP6PARP1PARP10PARP11ALDH1A1

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
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP FABP6 4703/4885PARP1 125/4885PARP10 370/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP FABP6 4703/4885PARP1 125/4885PARP10 370/4885

“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.