SCHEMBL5207600

SCHEMBL5207600

CCC(CC)(c1ccc(NC(=O)CCc2oc(-c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
CETP P11597 6/20 0.42
MAPT P10636 3/20 0.42
ADCY1 Q08828 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMO Q99835 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
SCHEMBL5208383 0.92 SMO (0.43) TP53CETPMAPTPARP3CASP3
SCHEMBL5207440 0.90 CETP (0.47) TP53CETPMAPTKMT2AMEN1
SCHEMBL5215005 0.89 PARP3 (0.39) CETPMAPTPARP3CASP3SENP8
SCHEMBL5207015 0.88 MAPT (0.41) TP53CETPMAPTPARP3CASP3
SCHEMBL5213172 0.88 CETP (0.40) CETPMAPTPARP3CASP3SENP8
SCHEMBL5211337 0.88 SMO (0.42) TP53CETPMAPTPARP3CASP3
SCHEMBL5211936 0.87 MAPT (0.42) TP53CETPMAPTPARP3CASP3
SCHEMBL5208936 0.86 MAPT (0.40) TP53MAPTKMT2AMEN1MAPK1
SCHEMBL5210828 0.85 MAPT (0.41) TP53MAPTKMT2AMEN1LMNA
SCHEMBL5207462 0.85 MAPT (0.41) TP53CETPMAPTPARP3CASP3

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 TP53 4375/4885CETP 3930/4885MAPT 3958/4885

“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.