SCHEMBL3732240

SCHEMBL3732240

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.64
CTSS P25774 4/20 0.64
CTSB P07858 4/20 0.64
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
CTSK P43235 4/20 0.59
CASP3 P42574 2/20 0.53
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53
ATM Q13315 1/20 0.49
PRTN3 P24158 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
SCHEMBL3732239 1.00 CTSL (0.64) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL3725467 0.88 CTSL (0.57) CTSLCTSSCTSBCTSKCASP3
SCHEMBL3733900 0.88 CTSL (0.57) CTSLCTSSCTSBCTSKCASP3
SCHEMBL28949078 0.88 CTSL (0.57) CTSLCTSSCTSBCTSKCASP3
SCHEMBL24734375 0.88 CTSL (0.71) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL8837344 0.88 CTSL (0.71) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL8837339 0.88 CTSL (0.71) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL221434 0.88 CTSL (0.71) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL7264750 0.88 CTSL (0.71) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL5145628 0.88 CTSL (0.71) CTSLCTSSCTSBCYP3A4CYP2D6

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 12 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
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-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-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 (4 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
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSL 1476/4885CTSS 2072/4885CTSB 3486/4885

“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.