SCHEMBL504326

SCHEMBL504326

COC(=O)C(Cc1ccccc1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.49
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CA2 P00918 3/20 0.45
CA7 P43166 2/20 0.45
LMNA P02545 1/20 0.45
CTSL P07711 1/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP9 P14780 2/20 0.43
MAPT P10636 2/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL7341952 0.88 PPARG (0.57) GAAPPARGPPARACA2CA7
SCHEMBL180028 0.85 NPC1 (0.49) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL180029 0.85 NPC1 (0.49) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL3089805 0.84 PPARG (0.47) KMT2AGAAPPARGPPARACA2
SCHEMBL3095016 0.84 PPARG (0.47) KMT2AGAAPPARGPPARACA2
SCHEMBL14094455 0.84 ACHE (0.46) KMT2AMEN1CA2LMNACYP1A2
SCHEMBL31712160 0.82 KMT2A (0.44) KMT2AMEN1GAACA2LMNA
SCHEMBL2326857 0.82 KMT2A (0.44) KMT2AMEN1GAACA2LMNA
SCHEMBL17789129 0.82 KMT2A (0.44) KMT2AMEN1GAACA2LMNA
SCHEMBL5846603 0.80 MEN1 (0.55) KMT2AMEN1ATMPPARGPPARA

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-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 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 (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-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 KMT2A 4220/4885MEN1 4601/4885GAA 3038/4885

“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.