SCHEMBL8248665

SCHEMBL8248665

CC(C)C[C@@H](C(=O)O)N(C(=O)c1ccccc1)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.41
MLYCD O95822 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
IL1RN P18510 2/20 0.40
ERAP2 Q6P179 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5869630 1.00 HPGD (0.46) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8254263 0.86 TSHR (0.43) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7223746 0.86 TSHR (0.43) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8255779 0.81 TSHR (0.46) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5870453 0.81 TSHR (0.46) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL16824151 0.76 HPGD (0.51) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL28226603 0.75 GRIK1 (0.55) TSHRIL1RNERAP2ERAP1
SCHEMBL7724094 0.74 MMP2 (0.43) HPGDTSHRPRSS1CTSGCTRB1
SCHEMBL11372492 0.74 MMP1 (0.41) HPGDMEN1KMT2ATRPM8
SCHEMBL11372494 0.74 MMP1 (0.41) HPGDMEN1KMT2ATRPM8

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 HPGD 156/4885MEN1 3996/4885KMT2A 1880/4885

“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.