SCHEMBL4876627

SCHEMBL4876627

c1ccc(-c2cnc(-c3ccc4scnc4c3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
RAB9A P51151 7/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.52
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
NPC1 O15118 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
PTPN1 P18031 5/20 0.48
PTPN2 P17706 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL4882482 0.89 TSHR (0.59) TSHRALOX15CASP1RAB9AMEN1
SCHEMBL29478085 0.78 RIPK2 (0.60) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL927048 0.78 RIPK2 (0.60) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL18280244 0.77 ALOX15 (0.78) TSHRALOX15CASP1RAB9AMEN1
SCHEMBL75219 0.77 ALOX15 (1.00) TSHRALOX15CASP1RAB9AMEN1
SCHEMBL10726923 0.77 ALOX15 (1.00) TSHRALOX15CASP1RAB9AMEN1
SCHEMBL5319793 0.76 IMPDH2 (0.60) RIPK2EGFRKDRTGFBR1RIPK3
SCHEMBL1267325 0.75 ALOX15 (0.96) TSHRALOX15CASP1RAB9AMEN1
SCHEMBL2684521 0.75 ALOX15 (0.96) TSHRALOX15CASP1RAB9AMEN1
SCHEMBL77084 0.75 ALOX15 (0.96) TSHRALOX15CASP1RAB9AMEN1

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 TSHR 4714/4885ALOX15 2152/4885CASP1 3523/4885

“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.