SCHEMBL3374501

SCHEMBL3374501

O=C(NC(C(=O)O)C1CCOCC1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.47
CTRB1 P17538 2/20 0.47
GAA P10253 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
CYP2C19 P33261 3/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL1162837 1.00 CTSK (0.49) CTSKCTSLCTSSCYP1A2ALDH1A1
SCHEMBL2163641 0.91 CTRB1 (0.52) CTSKCYP1A2ALDH1A1ATMCTRB1
SCHEMBL1440328 0.91 CTRB1 (0.52) CTSKCYP1A2ALDH1A1ATMCTRB1
SCHEMBL903622 0.90 CTSL (0.50) CTSKCTSLCTSSCYP1A2ALDH1A1
SCHEMBL3369219 0.90 CTSL (0.50) CTSKCTSLCTSSCYP1A2ALDH1A1
SCHEMBL7337637 0.88 ALDH1A1 (0.52) CTSKCYP1A2ALDH1A1CTRB1GAA
SCHEMBL7333566 0.88 ALDH1A1 (0.54) CTSKCYP1A2ALDH1A1CTRB1GAA
SCHEMBL7810127 0.88 ALDH1A1 (0.54) CTSKCYP1A2ALDH1A1CTRB1GAA
SCHEMBL31581882 0.87 DPP4 (0.48) CTSKCYP1A2ALDH1A1ATMCTRB1
SCHEMBL31581699 0.87 DPP4 (0.48) CTSKCYP1A2ALDH1A1ATMCTRB1

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
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CTSK 1314/4885CTSL 868/4885CTSS 925/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSK 1314/4885CTSL 868/4885CTSS 925/4885

“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.