SCHEMBL23919008

SCHEMBL23919008

CC(C)(C)c1ccc2[nH]ncc2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.42
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
AXL P30530 1/20 0.38
TRPV1 Q8NER1 5/20 0.38
TRPA1 O75762 2/20 0.38
RPS6KB1 P23443 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
RIPK2 O43353 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK3 Q00526 1/20 0.35
WEE1 P30291 1/20 0.35
PKMYT1 Q99640 1/20 0.35
METAP2 P50579 1/20 0.35

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
SCHEMBL21793858 0.79 CCNA2 (0.42) DHPSCDK2CCNA2CCNA1AXL
SCHEMBL8062076 0.77 CCNA2 (0.43) CDK2CCNA2CCNA1AXLIDO1
SCHEMBL29705820 0.76 NOS1 (0.49) CDK2CCNA2CCNA1AXLCCNE1
SCHEMBL6923181 0.76 NOS1 (0.49) CDK2CCNA2CCNA1AXLIDO1
SCHEMBL5446861 0.76 CCNA2 (0.42) CDK2CCNA2CCNA1AXLTRPA1
SCHEMBL20132550 0.75 AXL (0.43) DHPSCDK2CCNA2CCNA1AXL
SCHEMBL21100786 0.73 TRPA1 (0.51) DHPSCDK2CCNA2CCNA1AXL
SCHEMBL14804208 0.73 NOS1 (0.46) DHPSCDK2AXLTRPA1IDO1
SCHEMBL21341661 0.71 AXL (0.44) DHPSCDK2CCNA2CCNA1AXL
SCHEMBL22967876 0.71 AXL (0.56) CDK2CCNA1AXLTRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 US disclosed
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 US disclosed
US-20210317095-A1 COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2021-10-14 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-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators SQSTM1, HSPA5, ATG7 DHPS 3877/4885CDK2 3663/4885CCNA2 4079/4885
US-20210317095-A1 COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS SQSTM1, HSPA5, ATG7 DHPS 3877/4885CDK2 3663/4885CCNA2 4079/4885

“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.