SCHEMBL4879804

SCHEMBL4879804

O=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
POLB P06746 2/20 0.67
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 7/20 0.51
USP2 O75604 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MITF O75030 1/20 0.50
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6014404 0.86 POLB (0.48) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL20022000 0.81 KMT2A (1.00) GAAKMT2AMEN1POLBTSHR
SCHEMBL5960399 0.75 POLB (0.80) GAAKMT2AMEN1POLBTSHR
SCHEMBL75219 0.75 ALOX15 (1.00) GAAKMT2AMEN1TSHRALOX15
SCHEMBL10726923 0.75 ALOX15 (1.00) GAAKMT2AMEN1TSHRALOX15
SCHEMBL6014359 0.74 SMN1; SMN2 (0.48) KMT2AMEN1POLBTSHRSMN1; SMN2
SCHEMBL4878322 0.74 ALOX15 (0.58) GAAKMT2AMEN1TSHRALOX15
SCHEMBL6014402 0.74 HTR6 (0.58) POLBALOX15CASP1LMNAALDH1A1
SCHEMBL1267325 0.73 ALOX15 (0.96) GAAKMT2AMEN1TSHRALOX15
SCHEMBL77084 0.73 ALOX15 (0.96) GAAKMT2AMEN1TSHRALOX15

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
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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 (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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK GAA 97/4885KMT2A 3103/4885MEN1 2462/4885

“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.