SCHEMBL3733895

SCHEMBL3733895

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(O)CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
CTSS P25774 3/20 0.53
CTSB P07858 4/20 0.53
CTSK P43235 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ELANE P08246 2/20 0.48
PRTN3 P24158 1/20 0.48
ATM Q13315 1/20 0.48
CTSD P07339 1/20 0.48
CASP3 P42574 2/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3732500 0.92 CTSL (0.57) CTSLCTSSCTSBCTSKMEN1
SCHEMBL3731683 0.89 CTSK (0.54) CTSLCTSSCTSBCTSKMEN1
SCHEMBL27471193 0.89 CTSK (0.54) CTSLCTSSCTSBCTSKMEN1
SCHEMBL24556965 0.86 CTSK (0.58) CTSLCTSSCTSBCTSKMEN1
SCHEMBL3731639 0.84 CTSB (0.56) CTSLCTSSCTSBCTSKMEN1
SCHEMBL7689129 0.82 CTSB (0.55) CTSLCTSSCTSBCTSKMEN1
SCHEMBL7855067 0.82 CTSB (0.55) CTSLCTSSCTSBCTSKMEN1
SCHEMBL24596987 0.82 CTSB (0.59) CTSLCTSSCTSBCTSKMEN1
SCHEMBL14595222 0.82 CTSB (0.59) CTSLCTSSCTSBCTSKMEN1
SCHEMBL1908598 0.82 CTSK (0.62) CTSLCTSSCTSBCTSKMEN1

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
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 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 (3 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 CTSL 756/4885CTSS 1386/4885CTSB 1150/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSL 483/4885CTSS 1913/4885CTSB 1674/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSL 756/4885CTSS 1386/4885CTSB 1150/4885

“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.