SCHEMBL1442830

SCHEMBL1442830

C[C@H]1CC[C@H](C(=O)N(c2cc(-c3ccc(NC(=O)c4cscn4)cc3)sc2C(=O)O)[C@H]2CC[C@H](O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.34
ROCK2 O75116 1/20 0.33
NR1I2 O75469 2/20 0.33
DGAT1 O75907 3/20 0.32
GRM1 Q13255 1/20 0.31
PARP1 P09874 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL1442834 1.00 GRM4 (0.34) GRM4ROCK2NR1I2DGAT1GRM1
SCHEMBL2434764 0.95 GRM4 (0.35) GRM4ROCK2NR1I2DGAT1GRM1
SCHEMBL2434765 0.95 GRM4 (0.35) GRM4ROCK2NR1I2DGAT1GRM1
SCHEMBL9933479 0.91 GRM4 (0.33) GRM4ROCK2NR1I2PARP1
SCHEMBL17244339 0.91 GRM4 (0.33) GRM4ROCK2NR1I2
SCHEMBL2430602 0.90 GRM4 (0.33) GRM4ROCK2NR1I2DGAT1GRM1
SCHEMBL2430605 0.90 GRM4 (0.33) GRM4ROCK2NR1I2DGAT1GRM1
SCHEMBL2435943 0.88 GRM4 (0.38) GRM4ROCK2PARP1
SCHEMBL2435948 0.88 GRM4 (0.38) GRM4ROCK2PARP1
SCHEMBL2428710 0.86 GRM4 (0.37) GRM4ROCK2DGAT1GRM1PARP1

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 7 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
EP-2507249-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-10-10 EP 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

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 GRM4 4343/4885ROCK2 4729/4885NR1I2 88/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 GRM4 4343/4885ROCK2 4729/4885NR1I2 88/4885

“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.