SCHEMBL3739447

SCHEMBL3739447

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCn1cc(C(=O)OCI)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
CTSB P07858 5/20 0.42
CTSK P43235 4/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 4/20 0.42
CASP3 P42574 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CAPN1 P07384 1/20 0.40

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
SCHEMBL3726974 0.93 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3727821 0.91 MEN1 (0.45) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL7691983 0.91 CYP3A4 (0.50) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3732282 0.90 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3729371 0.89 CTSD (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL2150884 0.79 CTSB (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL22685692 0.79 CTSB (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL2150881 0.79 CTSB (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL13039822 0.77 CTSB (0.52) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3729761 0.77 CTSB (0.52) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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 MEN1 4607/4885KMT2A 3465/4885CYP3A4 313/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 MEN1 2310/4885KMT2A 4375/4885CYP3A4 134/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 MEN1 4607/4885KMT2A 3465/4885CYP3A4 313/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 MEN1 4684/4885KMT2A 738/4885CYP3A4 601/4885

“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.