SCHEMBL4743834

SCHEMBL4743834

CN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.46
MEP1B Q16820 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 2/20 0.42
S1PR1 P21453 1/20 0.41
NR4A2 P43354 1/20 0.40
ALDH2 P05091 1/20 0.40
PYCR1 P32322 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
NR1D1 P20393 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
SCHEMBL4745367 0.86 KDM4E (0.47) ACHEALDH1A1S1PR1
SCHEMBL4743853 0.85 KMT2A (0.55) ACHE
SCHEMBL3777451 0.83 HDAC3 (0.51) LTA4HMEP1BALDH1A1ALDH2
SCHEMBL409765 0.82 S1PR1 (0.38) ACHES1PR1PYCR1NR1D1
SCHEMBL10170373 0.82 S1PR1 (0.38) ACHES1PR1PYCR1NR1D1
SCHEMBL409764 0.82 S1PR1 (0.38) ACHES1PR1PYCR1NR1D1
SCHEMBL408817 0.80 POLB (0.52) ACHES1PR1NR1D1
SCHEMBL15654103 0.80 LTA4H (0.46) LTA4HALDH1A1NR1D1
SCHEMBL1243793 0.79 HDAC1 (0.46) MEP1BALDH1A1RXRARXRBRXRG
SCHEMBL4745549 0.78 ALDH1A1 (0.50) ALDH1A1RXRARXRBRXRGNR4A2

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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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 (1 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A LTA4H 3640/4885MEP1B 2330/4885ACHE 4153/4885

“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.