SCHEMBL6649201

SCHEMBL6649201

Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)c(OC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
TMPRSS2 O15393 4/20 0.48
NR1H2 P55055 1/20 0.46
MAP3K5 Q99683 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.43
KCNA1 Q09470 1/20 0.42
KCNAB1 Q14722 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
GRAMD1A Q96CP6 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL6643701 0.84 MAPT (0.49) NPC1RAB9AKCNK3KCNK9
SCHEMBL29803682 0.80 ESR2 (0.54) ESR2TMPRSS2NR1H2NPC1RAB9A
SCHEMBL1187860 0.80 ESR2 (0.62) ESR2TMPRSS2NR1H2NPC1RAB9A
SCHEMBL6646767 0.79 ESR2 (0.55) ESR2TMPRSS2NR1H2MAP3K5NPC1
SCHEMBL2056208 0.79 ESR2 (0.76) ESR2NR1H2NPC1RAB9ANAMPT
SCHEMBL1188505 0.79 ESR2 (0.54) ESR2TMPRSS2NR1H2MAP3K5NPC1
SCHEMBL31174284 0.78 ESR2 (0.67) ESR2TMPRSS2NR1H2NPC1RAB9A
SCHEMBL31174286 0.78 ESR2 (0.67) ESR2TMPRSS2NR1H2NPC1RAB9A
SCHEMBL24671434 0.78 NAMPT (0.61) ESR2TMPRSS2NR1H2NPC1RAB9A
SCHEMBL29803581 0.78 NAMPT (0.61) ESR2TMPRSS2NR1H2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR ESR2 294/4885TMPRSS2 2763/4885NR1H2 11/4885

“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.