SCHEMBL7611432

SCHEMBL7611432

CC(C)OC(=O)[C@H](CSC(C)(C)C)NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
CTSG P08311 3/20 0.43
CMA1 P23946 3/20 0.43
PRSS1 P07477 2/20 0.43
CTRB1 P17538 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSL P07711 4/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3697206 1.00 CYP26A1 (0.48) CYP26A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL3692412 0.86 RAB9A (0.48) CYP26A1RAB9ANPC1SMN1; SMN2CTSG
SCHEMBL7610226 0.86 RAB9A (0.48) CYP26A1RAB9ANPC1SMN1; SMN2CTSG
SCHEMBL7619172 0.84 ACE (0.55) RAB9ANPC1SMN1; SMN2CTSGCMA1
SCHEMBL3708599 0.84 ACE (0.55) RAB9ANPC1SMN1; SMN2CTSGCMA1
SCHEMBL5020131 0.80 CYP26A1 (0.53) CYP26A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL7614128 0.79 HDAC3 (0.49) CYP26A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL27808603 0.79 CTSL (0.65) RAB9ACTSGCMA1ALDH1A1LMNA
SCHEMBL27808602 0.79 CTSL (0.65) RAB9ACTSGCMA1ALDH1A1LMNA
SCHEMBL17277110 0.78 CYP26A1 (0.45) CYP26A1RAB9ANPC1HTTSMN1; SMN2

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 CYP26A1 4476/4885RAB9A 1122/4885NPC1 1275/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP CYP26A1 4476/4885RAB9A 1122/4885NPC1 1275/4885

“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.