SCHEMBL4165301

SCHEMBL4165301

CCOC(=N)c1cc(O)c(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
DGAT1 O75907 1/20 0.44
SERPINE1 P05121 5/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
SELE P16581 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
Hydrochloric Acid SCHEMBL2494313 0.98 ESR1 (0.43) ESR1DGAT1SERPINE1CA12CA1
SCHEMBL18346603 0.82 CA12 (0.65) ESR1DGAT1CA12CA1CA2
SCHEMBL18869061 0.78 PRSS1 (0.48) DGAT1CA12CA1CA2CA7
SCHEMBL18732048 0.76 CA12 (0.36) DGAT1CA12CA1CA2CA7
SCHEMBL20116491 0.76 PDE4B (0.56) DGAT1CA12CA1CA2CA7
Ethylgallate SCHEMBL39599 0.75 SERPINE1 (0.70) ESR1SERPINE1CA12CA1CA2
SCHEMBL13108706 0.75 DGAT1 (0.62) ESR1DGAT1CA12CA1CA2
SCHEMBL13108721 0.74 DGAT1 (0.52) DGAT1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL4220725 0.73 DGAT1 (0.51) DGAT1CA12CA1CA2CA7
Ethylgallate SCHEMBL27840060 0.73 SERPINE1 (0.68) ESR1SERPINE1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2017-04-13 US disclosed
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2017-04-13 US disclosed
US-9526707-B2 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2016-12-27 US disclosed
US-9526707-B2 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2016-12-27 US disclosed
US-8932617-B2 Methods for treating or preventing restenosis and other vascular proliferative disorders ELFORD HOWARD L (US) 2015-01-13 US disclosed
EP-2030615-A2 Ribonucleotide reductase inhibitors for use in the treatment or prevention of neuroinflammatory or autoimmune diseases ELFORD, Howard L. (US) 2009-03-04 EP disclosed
US-20090047250-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L 2009-02-19 US disclosed
US-7294718-B2 Synthesis of a 4-methylthiazole-4(S)-carboxylic acid compound GENZYME CORPORATION (US) 2007-11-13 US disclosed
US-20050209462-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-09-22 US disclosed
EP-1506162-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES Genzyme Corporation (US) 2005-02-16 EP disclosed
US-6846958-B2 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-01-25 US disclosed
US-20030236426-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION 2003-12-25 US disclosed
WO-2003097582-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES GENZYME CORPORATION (US) 2003-11-27 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-20090047250-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases RNASE1, RNASEH1, TXNRD3 ESR1 4710/4885DGAT1 782/4885SERPINE1 378/4885
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases RNASE1, RNASEH1, TXNRD3 ESR1 4710/4885DGAT1 782/4885SERPINE1 378/4885
US-20050209462-A1 Synthesis of benzimidate from benzoic acid FTH1, CISD2, CISD1 ESR1 2472/4885DGAT1 743/4885SERPINE1 2199/4885
US-20030236426-A1 Synthesis of benzimidate from benzoic acid FTH1, CISD2, CISD1 ESR1 2472/4885DGAT1 743/4885SERPINE1 2199/4885

“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.