SCHEMBL7614035

SCHEMBL7614035

CC(C)(C)SC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.47
GPR139 Q6DWJ6 2/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
TACR1 P25103 1/20 0.42
STAMBP O95630 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3695626 1.00 ACE (0.49) ACERAB9AMAPTGLAGPR139
SCHEMBL3693909 0.89 MEN1 (0.49) RAB9AGPR139NPC1MEN1KMT2A
SCHEMBL7617951 0.89 MEN1 (0.49) RAB9AGPR139NPC1MEN1KMT2A
SCHEMBL3708599 0.89 ACE (0.55) ACERAB9ANPC1SMN1; SMN2TACR1
SCHEMBL7619172 0.89 ACE (0.55) ACERAB9ANPC1SMN1; SMN2TACR1
SCHEMBL3697165 0.84 TACR1 (0.44) ACERAB9AKMT2ATACR1PPARA
SCHEMBL5020063 0.84 TACR1 (0.44) ACERAB9AKMT2ATACR1PPARA
SCHEMBL7619581 0.82 ACE (0.47) ACERAB9AMAPTGLAGPR139
SCHEMBL7615303 0.82 ACE (0.56) ACETACR1
SCHEMBL3696924 0.82 ACE (0.56) ACETACR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8624052-B2 S-t-butyl protected cysteine di-peptide analogs and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-17 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 (2 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-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP ACE 1727/4885RAB9A 1122/4885MAPT 92/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP ACE 1727/4885RAB9A 1122/4885MAPT 92/4885

“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.