SCHEMBL5214949

SCHEMBL5214949

CCC(CC)(c1ccc(NC(=O)CCc2sc(NC(=S)NC(=O)c3ccccc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
ALDH1A1 P00352 9/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
ALOX12 P18054 3/20 0.41
HTT P42858 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KCNH2 Q12809 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5212160 0.92 PTGDR2 (0.56) PTGDR2ALDH1A1NPC1RAB9ANPSR1
SCHEMBL5210333 0.90 PTGDR2 (0.42) PTGDR2ALDH1A1NPSR1SMN1; SMN2ALOX12
SCHEMBL5210751 0.88 PTGDR2 (0.47) PTGDR2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5208386 0.88 PTGDR2 (0.47) PTGDR2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5207663 0.86 PTGDR2 (0.46) PTGDR2ALDH1A1NPC1RAB9ANPSR1
SCHEMBL5207481 0.85 PTGDR2 (0.42) PTGDR2ALDH1A1NPC1RAB9ANPSR1
SCHEMBL5212862 0.85 PTGDR2 (0.43) PTGDR2ALDH1A1NPSR1SMN1; SMN2ALOX12
SCHEMBL5212178 0.84 MAPT (0.59) PTGDR2ALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL5215189 0.84 MAPT (0.46) PTGDR2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5214955 0.84 PTGDR2 (0.46) PTGDR2ALDH1A1NPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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 (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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 PTGDR2 394/4885ALDH1A1 1651/4885NPC1 3792/4885

“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.