SCHEMBL15045430

SCHEMBL15045430

COCC(=O)NC(C(C)=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MBTPS1 Q14703 1/20 0.37
ACACB O00763 2/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
ACACA Q13085 1/20 0.34
PSMB5 P28074 1/20 0.33

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
SCHEMBL21509919 1.00 TSHR (0.43) TSHRNPSR1HPGDSMN1; SMN2MBTPS1
SCHEMBL25646519 1.00 TSHR (0.43) TSHRNPSR1HPGDSMN1; SMN2MBTPS1
SCHEMBL23135886 0.84 CA12 (0.47) TSHRHPGDSMN1; SMN2CA12CA14
SCHEMBL5711380 0.84 MBTPS1 (0.50) TSHRNPSR1HPGDSMN1; SMN2MBTPS1
SCHEMBL10881354 0.79 TSHR (0.40) TSHRHPGDSMN1; SMN2ACACBALDH1A1
SCHEMBL25646522 0.79 TSHR (0.46) TSHRNPSR1HPGDSMN1; SMN2ACACB
SCHEMBL13748651 0.78 NPC1 (0.42) TSHRNPSR1ALDH1A1POLB
SCHEMBL15996559 0.77 CYP2C9 (0.45) NPSR1SMN1; SMN2ALDH1A1PSMB5
SCHEMBL22267166 0.77 CYP2C9 (0.45) NPSR1SMN1; SMN2ALDH1A1PSMB5
SCHEMBL13932943 0.77 CYP2C9 (0.45) NPSR1SMN1; SMN2ALDH1A1PSMB5

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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 TSHR 3711/4885NPSR1 2897/4885HPGD 984/4885

“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.