SCHEMBL3736355

SCHEMBL3736355

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.57
CTSL P07711 4/20 0.57
CTSK P43235 4/20 0.57
CTSS P25774 3/20 0.57
ELANE P08246 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.52
PRTN3 P24158 1/20 0.52
CASP3 P42574 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51

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
SCHEMBL28870537 0.91 CTSB (0.54) CTSBCTSLCTSKCTSSELANE
SCHEMBL28870538 0.91 CTSB (0.54) CTSBCTSLCTSKCTSSELANE
SCHEMBL3725788 0.88 CTSB (0.56) CTSBCTSLCTSKCTSSELANE
Hydrochloric Acid SCHEMBL18954406 0.87 CTSB (0.55) CTSBCTSLCTSKCTSSELANE
Hydrochloric Acid SCHEMBL20586067 0.87 CTSB (0.55) CTSBCTSLCTSKCTSSELANE
SCHEMBL30016306 0.87 CTSL (0.55) CTSBCTSLCTSKCTSSELANE
SCHEMBL24596987 0.86 CTSB (0.59) CTSBCTSLCTSKCTSSELANE
SCHEMBL14595222 0.86 CTSB (0.59) CTSBCTSLCTSKCTSSELANE
SCHEMBL1908598 0.86 CTSK (0.62) CTSBCTSLCTSKCTSSELANE
SCHEMBL28892051 0.86 TRPM8 (0.62) CTSBCTSLCTSKCTSSELANE

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 15 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-20080281099-A1 PROCESS FOR PURIFYING VALACYCLOVIR HYDROCHLORIDE AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES, INC. 2008-11-13 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
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 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 (5 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 CTSB 1150/4885CTSL 756/4885CTSK 1583/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSB 1674/4885CTSL 483/4885CTSK 2547/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSB 1150/4885CTSL 756/4885CTSK 1583/4885
US-20080281099-A1 PROCESS FOR PURIFYING VALACYCLOVIR HYDROCHLORIDE AND INTERMEDIATES THEREOF TYMP, IMPDH1, UMPS CTSB 3263/4885CTSL 2674/4885CTSK 3230/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSB 3486/4885CTSL 1476/4885CTSK 3753/4885

“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.