SCHEMBL790551

SCHEMBL790551

C[C@H](NP(=S)(Cl)Oc1cccc2ccccc12)C(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
CYP19A1 P11511 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 2/20 0.37
LMNA P02545 1/20 0.36
METAP2 P50579 1/20 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
SCHEMBL722522 0.89 MEN1 (0.41) MEN1KMT2ARAB9AL3MBTL1ADAMTS4
SCHEMBL722521 0.89 MEN1 (0.41) MEN1KMT2ARAB9AL3MBTL1ADAMTS4
SCHEMBL719856 0.88 MEN1 (0.40) MEN1KMT2ARAB9AL3MBTL1ADAMTS4
SCHEMBL719855 0.88 MEN1 (0.40) MEN1KMT2ARAB9AL3MBTL1ADAMTS4
SCHEMBL14950102 0.84 MEN1 (0.41) MEN1KMT2ARAB9AL3MBTL1ADAMTS4
SCHEMBL16553952 0.84 ALDH1A1 (0.46) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL28544968 0.84 ALDH1A1 (0.46) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL789890 0.84 ALDH1A1 (0.46) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL790544 0.83 CYP19A1 (0.41) MEN1KMT2ARAB9AALDH1A1HSD17B10
SCHEMBL789912 0.82 ALDH1A1 (0.44) MEN1KMT2ARAB9AL3MBTL1ALDH1A1

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-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
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 MEN1 1839/4885KMT2A 1930/4885RAB9A 1397/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP MEN1 1839/4885KMT2A 1930/4885RAB9A 1397/4885

“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.