SCHEMBL3732258

SCHEMBL3732258

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
CTSL P07711 4/20 0.55
CTSS P25774 4/20 0.55
CTSB P07858 3/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
CTSK P43235 3/20 0.52
CASP3 P42574 2/20 0.47
SYK P43405 1/20 0.46
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44
ATM Q13315 1/20 0.42
PSMB5 P28074 1/20 0.42

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
SCHEMBL3732255 1.00 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3725631 0.92 CTSB (0.48) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL6476348 0.87 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3740379 0.87 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3727409 0.86 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3729765 0.86 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3735858 0.85 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3735857 0.85 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL21201711 0.82 CTSB (0.49) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3731597 0.81 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A

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 CYP3A4 313/4885CYP2D6 154/4885CYP2C9 538/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CYP3A4 134/4885CYP2D6 164/4885CYP2C9 282/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CYP3A4 313/4885CYP2D6 154/4885CYP2C9 538/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CYP3A4 601/4885CYP2D6 278/4885CYP2C9 582/4885

“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.