SCHEMBL5212862

SCHEMBL5212862

CCC(CC)(c1ccc(NC(=O)CCc2sc(NC(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PSD A5PKW4 1/20 0.39
PLTP P55058 2/20 0.39
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NAMPT P43490 1/20 0.36
AGER Q15109 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
SCHEMBL5210333 0.93 PTGDR2 (0.42) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5210751 0.92 PTGDR2 (0.47) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5208386 0.92 PTGDR2 (0.47) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5212160 0.89 PTGDR2 (0.56) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5207481 0.88 PTGDR2 (0.42) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5208947 0.87 PTGDR2 (0.41) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5207663 0.86 PTGDR2 (0.46) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5212178 0.86 MAPT (0.59) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5214949 0.85 PTGDR2 (0.47) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5215189 0.84 MAPT (0.46) PTGDR2MEN1KMT2AMAPTSMN1; SMN2

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 394/4885MEN1 1626/4885KMT2A 680/4885

“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.