SCHEMBL6031467

SCHEMBL6031467

CCCCCCCCCCC(CC)CCCCCOC(=O)Nc1sccc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 2/20 0.37
CA2 P00918 1/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 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
SCHEMBL6029664 1.00 PRSS1 (0.42) PRSS1PRSS2PRSS3L3MBTL1SMN1; SMN2
SCHEMBL6031356 0.86 L3MBTL1 (0.44) PRSS1PRSS2PRSS3L3MBTL1SMN1; SMN2
SCHEMBL6030616 0.86 L3MBTL1 (0.44) PRSS1PRSS2PRSS3L3MBTL1SMN1; SMN2
SCHEMBL6030465 0.79 KMT2A (0.45) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6030248 0.79 KMT2A (0.45) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6031468 0.76 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL6031501 0.75 HSD17B10 (0.47) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6031351 0.74 HSD17B10 (0.42) L3MBTL1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL6029945 0.74 HSD17B10 (0.55) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6031071 0.74 HSD17B10 (0.55) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1

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-7064122-B2 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
US-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-10-16 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-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use PNLIP, LIPC, CEL PRSS1 363/4885PRSS2 619/4885PRSS3 269/4885

“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.