SCHEMBL8254263

SCHEMBL8254263

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
IL1RN P18510 2/20 0.41
ERAP2 Q6P179 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CPA1 P15085 1/20 0.41
CPA2 P48052 1/20 0.41
CPA4 Q9UI42 1/20 0.41
GRIK1 P39086 1/20 0.40

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
SCHEMBL7223746 1.00 TSHR (0.43) TSHRIL1RNERAP2ERAP1HPGD
SCHEMBL8248665 0.86 HPGD (0.46) TSHRIL1RNERAP2ERAP1HPGD
SCHEMBL5869630 0.86 HPGD (0.46) TSHRIL1RNERAP2ERAP1HPGD
SCHEMBL8255779 0.84 TSHR (0.46) TSHRIL1RNERAP2ERAP1HPGD
SCHEMBL5870453 0.84 TSHR (0.46) TSHRIL1RNERAP2ERAP1HPGD
SCHEMBL28226603 0.77 GRIK1 (0.55) TSHRIL1RNERAP2ERAP1CPA1
SCHEMBL23064151 0.75 TSHR (0.49) TSHRHPGDMEN1HTTKMT2A
SCHEMBL23064152 0.75 TSHR (0.49) TSHRHPGDMEN1HTTKMT2A
SCHEMBL7378945 0.75 MEN1 (0.48) HPGDMEN1KMT2A
SCHEMBL10482594 0.74 ALDH1A1 (0.42) TSHRHPGDMEN1HTTKMT2A

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 2420/4885IL1RN 1603/4885ERAP2 33/4885

“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.