SCHEMBL8248796

SCHEMBL8248796

CC(C)C[C@H](N[C@@H](Cc1cc(-c2ccc(Cl)c(Cl)c2)on1)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.54
RAB9A P51151 10/20 0.54
LMNA P02545 4/20 0.54
POLB P06746 1/20 0.54
NOTUM Q6P988 1/20 0.48
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL5869939 1.00 NPC1 (0.54) NPC1RAB9ALMNAPOLBNOTUM
SCHEMBL5869502 0.89 NOTUM (0.50) LMNAPOLBNOTUMGRNSORT1
SCHEMBL8248791 0.89 NOTUM (0.50) LMNAPOLBNOTUMGRNSORT1
SCHEMBL8249254 0.86 NOTUM (0.50) NPC1RAB9ANOTUMMAPTTDP1
SCHEMBL5869700 0.86 NOTUM (0.50) NPC1RAB9ANOTUMMAPTTDP1
SCHEMBL5869392 0.84 HPGD (0.50) NPC1RAB9AGRNSORT1MAPT
SCHEMBL8248427 0.84 HPGD (0.50) NPC1RAB9AGRNSORT1MAPT
SCHEMBL7419197 0.79 NPC1 (0.54) NPC1RAB9ALMNAPOLBNOTUM
SCHEMBL8249166 0.78 ACE2 (0.42) GRNSORT1ALDH1A1MAPK1CYP2C19
SCHEMBL5870057 0.78 ACE2 (0.42) GRNSORT1ALDH1A1MAPK1CYP2C19

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 NPC1 2323/4885RAB9A 2897/4885LMNA 3320/4885

“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.