SCHEMBL5869593

SCHEMBL5869593

CC(C)C[C@H](NC(CC(=O)Nc1nc2ccc(Cl)cc2s1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
FSCN1 Q16658 1/20 0.55
NPC1 O15118 3/20 0.53
MAPT P10636 1/20 0.53
CLK1 P49759 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CSNK1D P48730 3/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 8/20 0.49
SENP7 Q9BQF6 8/20 0.49
SENP8 Q96LD8 7/20 0.49
SENP6 Q9GZR1 7/20 0.49
ABL1 P00519 1/20 0.47
ACP1 P24666 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5869602 1.00 DYRK1A (0.55) DYRK1AFSCN1NPC1MAPTCLK1
SCHEMBL5869618 1.00 DYRK1A (0.55) DYRK1AFSCN1NPC1MAPTCLK1
SCHEMBL5869749 0.89 RAB9A (0.59) DYRK1ANPC1MAPTCLK1ALDH1A1
SCHEMBL5869705 0.89 RAB9A (0.59) DYRK1ANPC1MAPTCLK1ALDH1A1
SCHEMBL5869719 0.89 RAB9A (0.59) DYRK1ANPC1MAPTCLK1ALDH1A1
SCHEMBL5870118 0.88 PTPN1 (0.53) DYRK1AFSCN1NPC1MAPTCLK1
SCHEMBL5870105 0.88 PTPN1 (0.53) DYRK1AFSCN1NPC1MAPTCLK1
SCHEMBL5870108 0.88 PTPN1 (0.53) DYRK1AFSCN1NPC1MAPTCLK1
SCHEMBL5870526 0.88 PDPK1 (0.55) DYRK1ANPC1MAPTCLK1ALDH1A1
SCHEMBL5870315 0.88 PDPK1 (0.55) DYRK1ANPC1MAPTCLK1ALDH1A1

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 DYRK1A 3077/4885FSCN1 4716/4885NPC1 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.