SCHEMBL3733757

SCHEMBL3733757

CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 3/20 0.61
CTSL P07711 4/20 0.60
CTSS P25774 4/20 0.60
CTSB P07858 2/20 0.60
CYP3A4 P08684 4/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2D6 P10635 1/20 0.59
RAB9A P51151 1/20 0.59
CTSK P43235 2/20 0.56
CASP3 P42574 2/20 0.53
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 1/20 0.49
ATM Q13315 2/20 0.47
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL3733758 1.00 MEN1 (0.61) MEN1KMT2ALMNACTSLCTSS
SCHEMBL3727263 0.89 CTSL (0.54) MEN1KMT2ALMNACTSLCTSS
SCHEMBL3732240 0.87 CTSL (0.64) MEN1KMT2ALMNACTSLCTSS
SCHEMBL3732239 0.87 CTSL (0.64) MEN1KMT2ALMNACTSLCTSS
SCHEMBL24734375 0.85 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL5145628 0.85 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL221434 0.85 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL8837344 0.85 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL221435 0.85 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS
SCHEMBL8837339 0.85 CTSL (0.71) MEN1KMT2ALMNACTSLCTSS

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 10 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-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP 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 3465/4885LMNA 2899/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 MEN1 2310/4885KMT2A 4375/4885LMNA 2190/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 MEN1 4607/4885KMT2A 3465/4885LMNA 2899/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 MEN1 4684/4885KMT2A 738/4885LMNA 1911/4885

“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.