SCHEMBL16865720

SCHEMBL16865720

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
BTN3A1 O00481 6/20 0.40
OGG1 O15527 1/20 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
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
CASP3 P42574 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
HTR1B P28222 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
SCHEMBL15582401 1.00 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL1743835 0.89 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL15837460 0.89 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL18067133 0.89 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL18067177 0.89 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL723907 0.89 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL10208172 0.89 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL18061729 0.88 HTT (0.40) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL22224918 0.88 HTT (0.40) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL18061738 0.88 HTT (0.40) HTTALDH1A1KDM4EHSD17B10BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 US disclosed
US-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 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 (1 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-20150183818-A1 PROCESS FOR PREPARING DIASTEREOMERICALLY ENRICHED PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS SAMHD1, TYMP, PNP HTT 3926/4885ALDH1A1 1868/4885KDM4E 3342/4885

“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.