SCHEMBL15075307

SCHEMBL15075307

CN[C@H](CCSC)C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
USP2 O75604 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL15075308 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1L3MBTL1TSHRMETAP2
SCHEMBL15075309 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1L3MBTL1TSHRMETAP2
SCHEMBL28777363 0.86 CYP2C9 (0.40) CYP2C9ALDH1A1L3MBTL1TSHRMETAP2
SCHEMBL15071513 0.84 CYP2C9 (0.39) CYP2C9ALDH1A1L3MBTL1TSHRMETAP2
SCHEMBL15071511 0.84 CYP2C9 (0.39) CYP2C9ALDH1A1L3MBTL1TSHRMETAP2
SCHEMBL15071516 0.84 CYP2C9 (0.39) CYP2C9ALDH1A1L3MBTL1TSHRMETAP2
SCHEMBL6850448 0.83 ALDH1A1 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRGAA
SCHEMBL6777811 0.83 ALDH1A1 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRGAA
Hydrochloric Acid SCHEMBL6777810 0.81 ALDH1A1 (0.50) CYP2C9ALDH1A1L3MBTL1TSHRGAA
Hydrochloric Acid SCHEMBL6777809 0.81 ALDH1A1 (0.50) CYP2C9ALDH1A1L3MBTL1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605018-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2017-03-28 US disclosed
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-05-21 US disclosed
US-8980865-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2015-03-17 US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 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-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CYP2C9 4386/4885ALDH1A1 2567/4885L3MBTL1 388/4885
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CYP2C9 4386/4885ALDH1A1 2567/4885L3MBTL1 388/4885

“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.