SCHEMBL3728112

SCHEMBL3728112

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCC(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
CCR1 P32246 1/20 0.51
CTSK P43235 5/20 0.50
CTSB P07858 4/20 0.50
CTSL P07711 3/20 0.50
CTSS P25774 3/20 0.50
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
CAPN1 P07384 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3729439 0.90 CTSL (0.56) ALDH1A1GAACCR1CTSKCTSB
SCHEMBL3727301 0.88 CCR1 (0.52) ALDH1A1CCR1CTSKCTSBCTSL
SCHEMBL3743912 0.88 CCR1 (0.47) ALDH1A1GAACCR1CTSKCTSB
SCHEMBL3735324 0.86 ATM (0.50) CCR1CTSKCTSBCTSLCTSS
SCHEMBL1908598 0.81 CTSK (0.62) CTSKCTSBCTSLCTSSCASP1
SCHEMBL7328376 0.80 ALDH1A1 (0.62) ALDH1A1GAACTSKNPC1RAB9A
SCHEMBL6804055 0.80 CTSL (0.59) CTSKCTSBCTSLCTSSCASP3
SCHEMBL6804053 0.80 CTSL (0.59) CTSKCTSBCTSLCTSSCASP3
SCHEMBL24596987 0.79 CTSB (0.59) CTSKCTSBCTSLCTSSCASP3
SCHEMBL14595222 0.79 CTSB (0.59) CTSKCTSBCTSLCTSSCASP3

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 14 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-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 (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 ALDH1A1 1605/4885GAA 209/4885CCR1 1896/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 ALDH1A1 876/4885GAA 1181/4885CCR1 553/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885GAA 209/4885CCR1 1896/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 ALDH1A1 1104/4885GAA 3860/4885CCR1 33/4885

“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.