SCHEMBL22229833

SCHEMBL22229833

CN(Cc1ccc(/C(N)=N/O)cc1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
GAA P10253 2/20 0.40
F2 P00734 6/20 0.39
GRIN2B Q13224 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BMP1 P13497 1/20 0.38
PRSS1 P07477 2/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F10 P00742 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL22229834 1.00 RAB9A (0.40) RAB9AGAAF2GRIN2BHDAC3
SCHEMBL26181153 0.77 RAB9A (0.44) RAB9AGAAGRIN2BBMP1NPC1
SCHEMBL2323646 0.76 HDAC1 (0.53) RAB9AGAAF2HDAC8HDAC6
SCHEMBL2323642 0.76 HDAC1 (0.53) RAB9AGAAF2HDAC8HDAC6
SCHEMBL4351827 0.74 MAPT (0.43) GAALMNATP53MAPTALOX15
SCHEMBL7230524 0.74 CA1 (0.44) HDAC3HDAC11HDAC8HDAC6HSD17B10
SCHEMBL20482186 0.74 RAB9A (0.43) RAB9AGAANPC1LMNATP53
SCHEMBL20551228 0.74 POLB (0.41) RAB9AGAAF2BMP1PRSS1
SCHEMBL20551227 0.74 POLB (0.41) RAB9AGAAF2BMP1PRSS1
SCHEMBL20597767 0.73 KMT2A (0.61) RAB9AGAAGRIN2BBMP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231556-A1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES BASF SE (DE) 2020-07-23 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-20200231556-A1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES CYP4F3, CYP51A1, CYP4B1 RAB9A 3965/4885GAA 1138/4885F2 3460/4885

“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.