SCHEMBL6029600

SCHEMBL6029600

CCCCCCCCNC(=O)Nc1sc(C(=O)N(CC)CCc2ccccn2)c(C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 10/20 0.41
EPHX1 P07099 3/20 0.41
NPSR1 Q6W5P4 6/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
APOBEC3G Q9HC16 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6030575 0.89 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1NPSR1HPGD
SCHEMBL6031389 0.84 ALDH1A1 (0.47) HTTSMN1; SMN2ALDH1A1EPHX1HPGD
SCHEMBL6030452 0.79 KMT2A (0.49) HTTSMN1; SMN2ALDH1A1EPHX1HPGD
SCHEMBL6030066 0.79 EPHX1 (0.48) HTTSMN1; SMN2ALDH1A1EPHX1HPGD
SCHEMBL6030364 0.77 EPHX1 (0.45) HTTALDH1A1EPHX1NPSR1HPGD
SCHEMBL6030973 0.77 EPHX1 (0.40) HTTSMN1; SMN2ALDH1A1EPHX1MAPT
SCHEMBL6030355 0.77 ALDH1A1 (0.48) HTTSMN1; SMN2ALDH1A1EPHX1NPSR1
SCHEMBL6030592 0.76 ALDH1A1 (0.45) HTTSMN1; SMN2ALDH1A1EPHX1NPSR1
SCHEMBL6030269 0.76 EPHX1 (0.46) HTTALDH1A1EPHX1NPSR1HPGD
SCHEMBL6030772 0.76 EPHX1 (0.46) HTTALDH1A1EPHX1NPSR1HPGD

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 5 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
EP-1467978-A4 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-11-02 EP disclosed
EP-1467978-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-10-16 US disclosed
WO-2003053944-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO 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 HTT 2554/4885SMN1; SMN2 1723/4885ALDH1A1 1832/4885

“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.