SCHEMBL3733937

SCHEMBL3733937

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCC(OC(=O)CCC(=O)O)OC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
TLR2 O60603 2/20 0.40
PIN1 Q13526 1/20 0.39
TNF P01375 2/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL3727053 0.95 KMT2A (0.46) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3734370 0.93 CASP3 (0.44) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3730563 0.92 CASP3 (0.49) CASP3KMT2ATLR2PIN1PTPN1
SCHEMBL3729442 0.87 KMT2A (0.48) CASP3KMT2ATLR2PTPN1
SCHEMBL3732006 0.86 KMT2A (0.51) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3729800 0.85 CASP3 (0.50) CASP3KMT2APIN1
SCHEMBL3730235 0.84 KMT2A (0.54) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3733361 0.84 CASP3 (0.44) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3733566 0.84 CYP3A4 (0.53) CASP3KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3731902 0.80 CASP3 (0.54) CASP3KMT2ACYP3A4CYP2D6CYP2C9

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 CASP3 306/4885KMT2A 3465/4885CYP3A4 313/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CASP3 633/4885KMT2A 4375/4885CYP3A4 134/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CASP3 306/4885KMT2A 3465/4885CYP3A4 313/4885

“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.