SCHEMBL5869705

SCHEMBL5869705

Cc1ccc2nc(NC(=O)CC(N[C@@H](CC(C)C)C(=O)O)C(=O)O)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
TP53 P04637 2/20 0.59
MITF O75030 1/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ACP1 P24666 1/20 0.56
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DYRK1A Q13627 1/20 0.54
CLK1 P49759 2/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
STAT1 P42224 1/20 0.52
MAPT P10636 3/20 0.50
CSNK1D P48730 2/20 0.50
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL5869719 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53MITF
SCHEMBL5869749 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53MITF
SCHEMBL5870537 0.89 PDPK1 (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL5869593 0.89 DYRK1A (0.55) RAB9ANPC1SMN1; SMN2POLBACP1
SCHEMBL5869602 0.89 DYRK1A (0.55) RAB9ANPC1SMN1; SMN2POLBACP1
SCHEMBL5870315 0.89 PDPK1 (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL5681078 0.89 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL5870526 0.89 PDPK1 (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL5681071 0.89 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL5869618 0.89 DYRK1A (0.55) RAB9ANPC1SMN1; SMN2POLBACP1

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 RAB9A 2897/4885NPC1 2323/4885SMN1; 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.