SCHEMBL16138510

SCHEMBL16138510

O=c1ccn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)n1CCc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ SLC29A1 Q99808 2/20 0.45
▸ SLC28A1 O00337 1/20 0.45
▸ SLC28A2 O43868 1/20 0.45
▸ SLC28A3 Q9HAS3 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ 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
▸ MAPT P10636 1/20 0.43
▸ CDA P32320 1/20 0.43
▸ P2RY6 Q15077 2/20 0.41
▸ P2RY2 P41231 1/20 0.41
▸ P2RY4 P51582 1/20 0.41
▸ SLC5A2 P31639 3/20 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
SCHEMBL19464945 1.00 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL16310923 1.00 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL19807503 1.00 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL19807411 0.89 SLC5A2 (0.49) ADORA2AADORA2BSLC29A1SLC28A1SLC28A2
SCHEMBL16311136 0.89 METTL3 (0.51) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL16310907 0.89 METTL3 (0.51) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL19464872 0.89 METTL3 (0.51) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL16311177 0.89 SLC5A2 (0.49) ADORA2AADORA2BSLC29A1SLC28A1SLC28A2
SCHEMBL19807371 0.89 METTL3 (0.51) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL16310900 0.89 SLC5A2 (0.49) ADORA2AADORA2BSLC29A1SLC28A1SLC28A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 — — US disclosed
US-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
US-20160075731-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2016-03-17 — — US disclosed
US-20140371167-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2014-12-18 — — US disclosed
WO-2014160502-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2014-10-02 — — 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-20140371167-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS ADORA2A 21/4885ADORA3 33/4885ADORA1 41/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA2A 436/4885ADORA3 778/4885ADORA1 994/4885
US-20160075731-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS ADORA2A 21/4885ADORA3 33/4885ADORA1 41/4885

“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.

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