SCHEMBL5870210

SCHEMBL5870210

CC(C)CC(NC(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.67
SORT1 Q99523 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 3/20 0.56
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GPR139 Q6DWJ6 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
EPHX2 P34913 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 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
SCHEMBL5870200 1.00 GRN (0.67) GRNSORT1SMN1; SMN2LMNAHPGD
SCHEMBL5870193 1.00 GRN (0.67) GRNSORT1SMN1; SMN2LMNAHPGD
SCHEMBL5870197 0.88 GRN (0.70) GRNSORT1SMN1; SMN2LMNAHPGD
SCHEMBL5870560 0.88 GRN (0.70) GRNSORT1SMN1; SMN2LMNAHPGD
SCHEMBL5870556 0.88 GRN (0.70) GRNSORT1SMN1; SMN2LMNAHPGD
SCHEMBL5869304 0.85 GRN (0.50) GRNSORT1SMN1; SMN2LMNAPOLB
SCHEMBL5869310 0.85 GRN (0.50) GRNSORT1SMN1; SMN2LMNAPOLB
SCHEMBL5869318 0.85 GRN (0.50) GRNSORT1SMN1; SMN2LMNAPOLB
SCHEMBL5870195 0.82 NPC1 (0.51) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL5869870 0.82 PSMB5 (0.52) GRNSORT1SMN1; SMN2LMNAHPGD

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 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 GRN 3026/4885SORT1 3962/4885SMN1; SMN2 3028/4885

“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.