SCHEMBL3071986

SCHEMBL3071986

COC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
PRSS1 P07477 1/20 0.42
TPSAB1 Q15661 1/20 0.42
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB1 P08183 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL22546602 0.91 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL11990731 0.91 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL21706330 0.90 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13029063 0.90 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13130772 0.90 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760586 0.88 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760232 0.88 PRSS1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760543 0.87 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL22067691 0.87 F13A1 (0.40) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760588 0.87 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1

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-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 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-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 F13A1 4202/4885TGM2 2716/4885TGM1 2882/4885

“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.