SCHEMBL7607226

SCHEMBL7607226

COC(=O)NC(C(=O)OC)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 2/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.41
BIRC2 Q13490 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9957362 1.00 CA12 (0.54) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL28591466 0.87 CA12 (0.47) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL28591468 0.87 CA12 (0.47) CA12CA14TSHRSMN1; SMN2TAS1R3
Benzene SCHEMBL27316296 0.87 CA12 (0.43) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL22535026 0.86 CA12 (0.41) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL15228353 0.85 CA12 (0.48) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL21547821 0.85 CA12 (0.39) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL23277649 0.84 CA14 (0.42) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL16587941 0.83 CA12 (0.47) CA12CA14TSHRSMN1; SMN2TAS1R3
SCHEMBL25144944 0.83 MAPT (0.40) CA12CA14TSHRTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CA12 4776/4885CA14 4768/4885TSHR 4331/4885

“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.