SCHEMBL5467142

SCHEMBL5467142

COc1cc(NC(=O)Nc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.58
NR1H2 P55055 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TMPRSS2 O15393 1/20 0.51
MAPT P10636 1/20 0.50
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
POLB P06746 1/20 0.49
KCNA1 Q09470 1/20 0.48
KCNAB1 Q14722 1/20 0.48
ABHD6 Q9BV23 1/20 0.47
ESR1 P03372 1/20 0.47
NAMPT P43490 2/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45

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
SCHEMBL1187946 0.93 ESR2 (0.53) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL1188497 0.93 ESR2 (0.60) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL1188325 0.92 NPC1 (0.61) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL5460878 0.86 NPC1 (0.62) ESR2NR1H2NPC1RAB9AMAPT
SCHEMBL1187860 0.86 ESR2 (0.62) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL1188540 0.86 ESR2 (0.62) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL5452223 0.86 TMPRSS2 (0.55) ESR2NPC1RAB9ATMPRSS2MAPT
SCHEMBL1188220 0.86 ESR2 (0.52) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL1187942 0.85 ESR2 (0.58) ESR2NR1H2NPC1RAB9ATMPRSS2
SCHEMBL1188437 0.85 ESR2 (0.61) ESR2NR1H2NPC1RAB9ATMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ESR2 3787/4885NR1H2 1573/4885NPC1 1089/4885

“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.