SCHEMBL9977086

SCHEMBL9977086

FC1(F)c2cc(Br)ccc2-c2ccc(-c3cnc(C4CCC5(CC5)C4)[nH]3)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.34
AKT1 P31749 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PRCP P42785 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
KCNH2 Q12809 3/20 0.32
SSTR3 P32745 2/20 0.32
SSTR5 P35346 1/20 0.32
NPY5R Q15761 1/20 0.32
HPGDS O60760 2/20 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
SCHEMBL18080872 0.82 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL19209573 0.82 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14PRCP
Hydrochloric Acid SCHEMBL18301378 0.82 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14PRCP
Hydrochloric Acid SCHEMBL18301377 0.82 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL19978299 0.81 PRCP (0.40) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL19186397 0.80 PRCP (0.38) RPS6KB1AKT1MAPK13MAPK12MAPK11
SCHEMBL18829568 0.79 MAPK13 (0.40) RPS6KB1AKT1MAPK13MAPK12MAPK11
SCHEMBL9977513 0.78 MAPK13 (0.34) RPS6KB1AKT1MAPK13MAPK12MAPK11
SCHEMBL16267261 0.75 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL15069637 0.75 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RPS6KB1 2185/4885AKT1 3814/4885MAPK13 3853/4885

“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.