SCHEMBL4357740

SCHEMBL4357740

C[C@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
POLB P06746 1/20 0.58
P2RY6 Q15077 2/20 0.51
P2RY14 Q15391 2/20 0.51
NT5E P21589 1/20 0.51
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC29A1 Q99808 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 3/20 0.40
ADA P00813 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL14853812 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL18561538 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL471157 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL14853864 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL18561535 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL12799387 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13486961 1.00 ABL1 (0.58) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL14262781 0.90 ABL1 (0.60) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL17684780 0.89 ABL1 (0.57) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL18289200 0.89 ABL1 (0.57) ABL1RIN1POLBP2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20160354425-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2016-12-08 US disclosed
US-20160354425-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2016-12-08 US disclosed
US-9452154-B2 Methods for treating HCV GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-9452154-B2 Methods for treating HCV GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-9393256-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2016-07-19 US disclosed
US-9393256-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2016-07-19 US disclosed
US-20150141353-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2015-05-21 US disclosed
US-20150141353-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2015-05-21 US disclosed
US-20130273005-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20130273005-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20130243726-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2013-09-19 US disclosed
US-20130243726-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2013-09-19 US disclosed
US-20090274686-A1 NUCLEOSIDE PHOSPHONATE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-11-05 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-20130243726-A1 METHODS FOR TREATING HCV HAVCR2, DHFR, HCCS ABL1 643/4885RIN1 4496/4885POLB 1708/4885
US-20160354425-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ABL1 245/4885RIN1 4036/4885POLB 2735/4885
US-20130273005-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ABL1 245/4885RIN1 4036/4885POLB 2735/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ABL1 245/4885RIN1 4036/4885POLB 2735/4885
US-20150141353-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ABL1 245/4885RIN1 4036/4885POLB 2735/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ABL1 245/4885RIN1 4036/4885POLB 2735/4885
US-20090274686-A1 NUCLEOSIDE PHOSPHONATE DERIVATIVES ENTPD5, PNP, TYMP ABL1 681/4885RIN1 3163/4885POLB 238/4885

“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.