SCHEMBL8255779

SCHEMBL8255779

CC(C)C[C@@H](C(=O)O)N(C)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.44
NR4A2 P43354 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IL1RN P18510 2/20 0.44
ERAP2 Q6P179 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
AOC3 Q16853 1/20 0.43
GRIK1 P39086 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL5870453 1.00 TSHR (0.46) TSHRKDM4EHPGDNR4A2MEN1
SCHEMBL7223746 0.84 TSHR (0.43) TSHRHPGDMEN1HTTKMT2A
SCHEMBL8254263 0.84 TSHR (0.43) TSHRHPGDMEN1HTTKMT2A
SCHEMBL23064152 0.82 TSHR (0.49) TSHRHPGDMEN1HTTKMT2A
SCHEMBL23064151 0.82 TSHR (0.49) TSHRHPGDMEN1HTTKMT2A
SCHEMBL5869630 0.81 HPGD (0.46) TSHRHPGDMEN1HTTKMT2A
SCHEMBL8248665 0.81 HPGD (0.46) TSHRHPGDMEN1HTTKMT2A
SCHEMBL28226603 0.80 GRIK1 (0.55) TSHRIL1RNERAP2ERAP1GRIK1
SCHEMBL10482476 0.79 AOC3 (0.47) TSHRHPGDMEN1HTTKMT2A
SCHEMBL7378945 0.78 MEN1 (0.48) HPGDMEN1KMT2AAOC3MMP1

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-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 TSHR 2420/4885KDM4E 2662/4885HPGD 156/4885

“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.