SCHEMBL8436685

SCHEMBL8436685

CCCCOC(=O)[C@H](CC(C)C)N[C@@H](Cc1cccc(O)c1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA1 P02708 2/20 0.41
CHRNG P07510 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRND Q07001 2/20 0.41
FOLH1 Q04609 1/20 0.39
AGTR2 P50052 2/20 0.38
BACE1 P56817 1/20 0.38
NLRP3 Q96P20 1/20 0.38
PPID Q08752 1/20 0.38
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL5870021 0.87 CTSK (0.47) CTSLCTSSCTSK
SCHEMBL5870015 0.87 CTSK (0.47) CTSLCTSSCTSK
SCHEMBL5870019 0.87 CTSK (0.47) CTSLCTSSCTSK
SCHEMBL8440620 0.87 FOLH1 (0.48) HPGDRAB9ANPC1CYP1A2CYP2C19
SCHEMBL8437201 0.80 IL1RN (0.50) CYP1A2CYP2C19SMN1; SMN2FOLH1IL1RN
SCHEMBL5869690 0.79 ANPEP (0.50) NLRP3CTSLCTSSCTSK
SCHEMBL5869470 0.79 ANPEP (0.50) NLRP3CTSLCTSSCTSK
SCHEMBL5869462 0.79 ANPEP (0.50) NLRP3CTSLCTSSCTSK
SCHEMBL5869300 0.79 ANPEP (0.50) NLRP3CTSLCTSSCTSK
SCHEMBL5869686 0.79 ANPEP (0.50) NLRP3CTSLCTSSCTSK

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-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 HPGD 156/4885RAB9A 2897/4885NPC1 2323/4885

“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.