SCHEMBL15045985

SCHEMBL15045985

C#C[C@@]1(F)[C@H](O)[C@@H](COC)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.48
NT5E P21589 1/20 0.46
HPGD P15428 1/20 0.44
PNP P00491 1/20 0.44
GSK3A P49840 2/20 0.44
RPS6KA3 P51812 2/20 0.44
MAPK14 Q16539 2/20 0.44
POLB P06746 1/20 0.44
TGM2 P21980 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
FUT5 Q11128 1/20 0.41
KRAS P01116 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL15045974 0.91 HINT1 (0.49) HINT1NT5EHPGDPNPGSK3A
SCHEMBL12149979 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL20977459 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL15788003 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL1375512 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL16021599 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL12194531 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL16023838 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL12281166 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A
SCHEMBL1375510 0.89 ADORA3 (0.48) HINT1NT5EHPGDPNPGSK3A

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 4 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 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 HINT1 4559/4885NT5E 586/4885HPGD 3138/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 HINT1 4559/4885NT5E 586/4885HPGD 3138/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 HINT1 4559/4885NT5E 586/4885HPGD 3138/4885

“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.