SCHEMBL20110436

SCHEMBL20110436

CC(C)C(C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)C1O)Oc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 2/20 0.80
P2RY2 P41231 7/20 0.47
P2RY4 P51582 2/20 0.47
POLA1 P09884 1/20 0.47
P2RY6 Q15077 5/20 0.46
P2RY14 Q15391 2/20 0.46
DUT P33316 1/20 0.39
P2RY12 Q9H244 2/20 0.39

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
SCHEMBL20110448 1.00 CYP3A4 (0.80) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL20110443 1.00 CYP3A4 (0.80) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL12227035 1.00 CYP3A4 (0.80) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL12572433 1.00 CYP3A4 (0.80) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL12227034 0.94 CYP3A4 (0.82) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL20110435 0.94 CYP3A4 (0.82) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL12572430 0.94 CYP3A4 (0.82) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL20110449 0.93 CYP3A4 (0.69) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL23890218 0.92 CYP3A4 (0.77) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL19194419 0.92 CYP3A4 (0.77) CYP3A4CYP2C9P2RY2P2RY4POLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118776-A1 NUCLEOSIDE PHOSPHORAMIDATES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS AND PREPARATION THEREOF QUIMICA SINTETICA S.A. (ES) 2018-05-03 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-20180118776-A1 NUCLEOSIDE PHOSPHORAMIDATES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS AND PREPARATION THEREOF MTAP, PNP, UMPS CYP3A4 347/4885CYP2C9 1702/4885P2RY2 936/4885

“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.