SCHEMBL5776417

SCHEMBL5776417

CCC(CC)(c1ccc(NC(=O)Cc2cnoc2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
HDAC1 Q13547 2/20 0.39
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 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
SCHEMBL5771724 0.90 MAPT (0.41) NPC1RAB9AHDAC1MEN1KMT2A
SCHEMBL5775542 0.88 NPC1 (0.39) NPC1RAB9AKCNJ5KCNJ3HDAC1
SCHEMBL5777446 0.83 MEN1 (0.41) NPC1RAB9AHDAC1MEN1KMT2A
SCHEMBL5771355 0.81 MAPT (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5777020 0.81 MAPT (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5775864 0.81 SMN1; SMN2 (0.47) NPC1RAB9AKCNJ5KCNJ3MEN1
SCHEMBL5772996 0.79 MAPT (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5772488 0.79 LTA4H (0.49) NPC1RAB9AHDAC1MEN1KMT2A
SCHEMBL5776170 0.79 PTPN1 (0.36) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5771812 0.78 MAPT (0.38) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR NPC1 2417/4885RAB9A 3076/4885KCNJ5 1295/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NPC1 1770/4885RAB9A 3507/4885KCNJ5 1003/4885

“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.