SCHEMBL15018827

SCHEMBL15018827

[CH2]C[C@@H]1O[C@H](n2ccc(N)nc2=O)CS1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.77
LMNA P02545 3/20 0.77
PDE3A Q14432 3/20 0.77
CACNA1F O60840 2/20 0.77
MAPT P10636 2/20 0.77
CACNA1D Q01668 2/20 0.77
CACNA1S Q13698 2/20 0.77
CACNA1C Q13936 2/20 0.77
POLG P54098 3/20 0.60
THRB P10828 1/20 0.43
MTOR P42345 1/20 0.43
MDM2 Q00987 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
PDE4D Q08499 1/20 0.41
SLC29A1 Q99808 1/20 0.41
POLB P06746 1/20 0.40
NT5E P21589 1/20 0.36
P2RY2 P41231 3/20 0.33
P2RY4 P51582 3/20 0.33

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
SCHEMBL13769959 0.88 ALB (0.79) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL12996723 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL2240686 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL109675 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL2806818 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL12964486 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL465678 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL19688551 0.87 ALB (0.77) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL2422788 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT
Lamivudine SCHEMBL2305925 0.87 ALB (1.00) ALBLMNAPDE3ACACNA1FMAPT

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-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US claimed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US claimed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 WO claimed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 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 (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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALB 2193/4885LMNA 3149/4885PDE3A 3539/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALB 2193/4885LMNA 3149/4885PDE3A 3539/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALB 2193/4885LMNA 3149/4885PDE3A 3539/4885

“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.