SCHEMBL790316

SCHEMBL790316

C[C@H](NP(=S)(Cl)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
BTN3A1 O00481 2/20 0.40
OGG1 O15527 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
HTR1B P28222 2/20 0.36

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
SCHEMBL18067182 0.90 ALDH1A1 (0.40) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL18067090 0.90 ALDH1A1 (0.40) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL18061745 0.89 BTN3A1 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL18061740 0.89 BTN3A1 (0.43) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL22224586 0.89 BTN3A1 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL15837460 0.89 HTT (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10208172 0.89 HTT (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL723907 0.89 HTT (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL1743835 0.89 HTT (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL16553952 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
WO-2014047117-A1 PROCESS FOR PREPARING PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885HSD17B10 4536/4885PGR 2198/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885HSD17B10 4536/4885PGR 2198/4885

“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.