SCHEMBL5870108

SCHEMBL5870108

COC(=O)[C@H](CC(=O)Nc1nc2ccc(Cl)cc2s1)N[C@@H](CC(C)C)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
CSNK1D P48730 5/20 0.53
DYRK1A Q13627 1/20 0.53
FSCN1 Q16658 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CLK1 P49759 2/20 0.50
NPC1 O15118 4/20 0.48
TP53 P04637 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CASP3 P42574 5/20 0.47
SENP7 Q9BQF6 5/20 0.47
SENP8 Q96LD8 4/20 0.47
SENP6 Q9GZR1 4/20 0.47

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
SCHEMBL5870105 1.00 PTPN1 (0.53) PTPN1CSNK1DDYRK1AFSCN1ALDH1A1
SCHEMBL5870118 1.00 PTPN1 (0.53) PTPN1CSNK1DDYRK1AFSCN1ALDH1A1
SCHEMBL5869593 0.88 DYRK1A (0.55) PTPN1CSNK1DDYRK1AFSCN1ALDH1A1
SCHEMBL5869602 0.88 DYRK1A (0.55) PTPN1CSNK1DDYRK1AFSCN1ALDH1A1
SCHEMBL5869618 0.88 DYRK1A (0.55) PTPN1CSNK1DDYRK1AFSCN1ALDH1A1
SCHEMBL7419251 0.82 CSNK1D (0.49) PTPN1CSNK1DDYRK1AFSCN1ALDH1A1
SCHEMBL5870312 0.79 CSNK1D (0.52) PTPN1CSNK1DDYRK1AALDH1A1NPC1
SCHEMBL5870318 0.79 CSNK1D (0.52) PTPN1CSNK1DDYRK1AALDH1A1NPC1
SCHEMBL5870325 0.79 CSNK1D (0.52) PTPN1CSNK1DDYRK1AALDH1A1NPC1
SCHEMBL5869600 0.78 NPC1 (0.61) CSNK1DDYRK1AALDH1A1NPC1TP53

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 4 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
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 PTPN1 1799/4885CSNK1D 722/4885DYRK1A 3077/4885

“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.