SCHEMBL5774793

SCHEMBL5774793

CCC(CC)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(Cl)s2)cc1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 6/20 0.33
TP53 P04637 5/20 0.33
LMNA P02545 3/20 0.33
GMNN O75496 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
THRB P10828 1/20 0.33
PIM1 P11309 1/20 0.33
CYP2C9 P11712 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
SCHEMBL5777020 0.85 MAPT (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5771812 0.85 MAPT (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5773007 0.84 SMN1; SMN2 (0.34) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL5771724 0.83 MAPT (0.41) HPGDALDH1A1NPC1RAB9AGAA
SCHEMBL5771355 0.82 MAPT (0.39) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5775864 0.82 SMN1; SMN2 (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5777446 0.82 MEN1 (0.41) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL5776566 0.81 MEN1 (0.37) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL5772698 0.81 TSHR (0.39) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL5773308 0.81 MEN1 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C19

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 KDM4E 3953/4885HPGD 1588/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KDM4E 3347/4885HPGD 1307/4885ALDH1A1 682/4885

“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.