SCHEMBL4082145

SCHEMBL4082145

COC(=O)c1ccc(C=CC(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
HPGD P15428 4/20 0.43
ATM Q13315 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
THRB P10828 2/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
TBXAS1 P24557 2/20 0.39

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
SCHEMBL4082141 1.00 MAPK1 (0.53) MAPK1KMT2ANPSR1LMNAPPARG
SCHEMBL20027243 0.87 NPSR1 (0.47) MAPK1KMT2ANPSR1LMNAPPARG
SCHEMBL1888194 0.83 HDAC3 (0.50) MAPK1KMT2ALMNATSHRHCAR2
SCHEMBL1888197 0.83 HDAC3 (0.50) MAPK1KMT2ALMNATSHRHCAR2
SCHEMBL13871631 0.83 MAPK1 (0.49) MAPK1KMT2AHPGDATMHCAR2
SCHEMBL17996059 0.81 POLB (0.47) MAPK1KMT2ANPSR1LMNAPPARG
SCHEMBL17996057 0.81 POLB (0.47) MAPK1KMT2ANPSR1LMNAPPARG
SCHEMBL30639009 0.80 KMT2A (0.53) MAPK1KMT2ALMNAHPGDHCAR2
SCHEMBL6016287 0.80 CA12 (0.45) MAPK1KMT2AHPGDHCAR2KDM4E
SCHEMBL6016286 0.80 CA12 (0.45) MAPK1KMT2AHPGDHCAR2KDM4E

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
CN-118561830-A Synthesis method of necrotic sulfonamide analogue 南京安纳医药科技有限公司 2024-08-30 CN disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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 (1 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 MAPK1 211/4885KMT2A 318/4885NPSR1 3974/4885

“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.