SCHEMBL3729439

SCHEMBL3729439

CC[C@H](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
CTSL P07711 3/20 0.56
CTSS P25774 3/20 0.56
CTSB P07858 2/20 0.56
CYP2C9 P11712 4/20 0.55
CYP3A4 P08684 3/20 0.55
RAB9A P51151 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
CTSK P43235 1/20 0.53
CASP3 P42574 2/20 0.48
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
CCR1 P32246 1/20 0.44

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
SCHEMBL6804053 0.90 CTSL (0.59) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL6804055 0.90 CTSL (0.59) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL3728112 0.90 ALDH1A1 (0.56) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL27310595 0.81 CYP3A4 (0.69) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL3743912 0.81 CCR1 (0.47) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL16270354 0.80 MEN1 (0.70) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL8662503 0.80 CTSB (0.70) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL6908194 0.80 CTSL (0.60) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL3727301 0.79 CCR1 (0.52) CTSLCTSSCTSBCYP2C9CYP3A4
SCHEMBL8218822 0.79 CTSL (0.68) CTSLCTSSCTSBCYP2C9CYP3A4

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 9 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-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 CTSL 756/4885CTSS 1386/4885CTSB 1150/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSL 483/4885CTSS 1913/4885CTSB 1674/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSL 756/4885CTSS 1386/4885CTSB 1150/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSL 1476/4885CTSS 2072/4885CTSB 3486/4885

“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.