SCHEMBL15340424

SCHEMBL15340424

CC(C)c1scc2c(N)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
NR4A2 P43354 3/20 0.40
SLC40A1 Q9NP59 1/20 0.35
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
IDO1 P14902 1/20 0.33
PSMB5 P28074 1/20 0.33
SOS2 Q07890 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL15340436 0.75 LIMK1 (0.38)
SCHEMBL18673118 0.73 CCR1 (0.43) SLC40A1HSP90AA1CCR1CCR5CCR8
SCHEMBL15340420 0.70 NR4A2 (0.32) NR4A2
SCHEMBL18673064 0.69
SCHEMBL1071707 0.67 NR4A2 (0.59) NCF1NR4A2SLC40A1HSP90AA1HSP90AB1
SCHEMBL15340427 0.67 NR4A2 (0.39) NCF1NR4A2SLC40A1HSP90AA1HSP90AB1
SCHEMBL23188728 0.66 PDPK1 (0.46)
SCHEMBL4390960 0.65 NR4A2 (0.57) NCF1NR4A2SLC40A1HSP90AA1HSP90AB1
SCHEMBL16381310 0.63 NR4A2 (0.48) NCF1NR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL14682709 0.63 HSP90AA1 (0.45) HSP90AA1HSP90AB1IDO1PSMB5CCR1

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-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-09-28 US disclosed
US-9487544-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2016-11-08 US disclosed
US-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (3 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-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP NCF1 2420/4885NR4A2 2778/4885SLC40A1 1073/4885
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP NCF1 2420/4885NR4A2 2778/4885SLC40A1 1073/4885
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PNP, PAICS, NUDT1 NCF1 1840/4885NR4A2 2643/4885SLC40A1 1702/4885

“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.