SCHEMBL8430360

SCHEMBL8430360

Cc1cc(C)cc(-c2csc(C[C@H](N[C@H](C=O)CC(C)C)C(=O)O)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
MAPK1 P28482 1/20 0.32
CAPN1 P07384 3/20 0.32
ACE P12821 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL8430716 0.89 MAPK1 (0.43) RAB9AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5869832 0.88 ACE2 (0.38) RAB9AALDH1A1L3MBTL1SMN1; SMN2CTSL
SCHEMBL8430015 0.87 ROCK1 (0.39) MAPK1CAPN1HDAC3HDAC8HDAC6
SCHEMBL8430332 0.82 SHMT1 (0.38) RAB9AALDH1A1SMN1; SMN2CTSKKDM4E
SCHEMBL8430327 0.80 MEN1 (0.34) ACEHDAC6KMT2AMEN1HDAC1
SCHEMBL8430339 0.80 NPPA (0.38) ALDH1A1MAPK1ACEFNTAFNTB
SCHEMBL5869790 0.77 ACE2 (0.48) RAB9AALDH1A1L3MBTL1SMN1; SMN2CTSL
SCHEMBL8249956 0.77 ACE2 (0.48) RAB9AALDH1A1L3MBTL1SMN1; SMN2CTSL
SCHEMBL8430348 0.76 ACE (0.44) CTSBCTSKCAPN1ACEHDAC8
SCHEMBL8430008 0.76 ACE2 (0.42) ALDH1A1MAPK1ACEHDAC6KMT2A

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 RAB9A 2897/4885ALDH1A1 1305/4885L3MBTL1 4525/4885

“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.