SCHEMBL2814232

SCHEMBL2814232

CCOP(=O)(CCNCl)OCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.52
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PLAU P00749 1/20 0.35
FPR2 P25090 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL491800 0.81 PPARD (0.62) PPARDTSHRTDP1TP53MEN1
SCHEMBL5001168 0.81 PPARD (0.56) PPARDTSHRTDP1TP53MEN1
SCHEMBL19091132 0.77 PPARD (0.52) PPARDTSHRTDP1TP53MEN1
SCHEMBL3313657 0.77 PPARD (0.70) PPARDTSHRTDP1TP53MEN1
SCHEMBL19594045 0.77 PPARD (0.47) PPARDTSHRTDP1TP53MEN1
SCHEMBL1666154 0.76
SCHEMBL15532056 0.74 PPARD (0.65) PPARDTSHRTDP1TP53MEN1
SCHEMBL11587786 0.74 PPARD (0.48) PPARDTSHRTDP1TP53MEN1
SCHEMBL10669305 0.74 PPARD (0.48) PPARDTSHRTDP1TP53MEN1
SCHEMBL20404508 0.74 PPARD (0.44) PPARDTSHRTDP1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-8444820-B2 Aqueous composition containing at least one soluble gelatinized anionic starch ROQUETTE FRERES (FR) 2013-05-21 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
US-20100243188-A1 AQUEOUS COMPOSITION CONTAINING AT LEAST ONE SOLUBLE GELATINIZED ANIONIC STARCH ROQUETTE FRERES (FR) 2010-09-30 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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PPARD 824/4885TSHR 4286/4885TDP1 2424/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PPARD 824/4885TSHR 4286/4885TDP1 2424/4885

“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.