SCHEMBL10013630

SCHEMBL10013630

CN(C)c1ccc2c(-c3ccc(C(=O)NCCSSCCOC=O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.59
▸ ITPR1 Q14643 1/20 0.55
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ GBA1 P04062 3/20 0.50
▸ HTR3A P46098 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ P2RY2 P41231 1/20 0.45
▸ MAP3K5 Q99683 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42

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
SCHEMBL2622508 0.91 P2RY6 (0.60) P2RY6ITPR1CA12CA1CA2
SCHEMBL2622506 0.90 P2RY6 (0.64) P2RY6ITPR1CA12CA1CA2
SCHEMBL14013426 0.87 P2RY6 (0.67) P2RY6ITPR1CA12CA1CA2
SCHEMBL18611406 0.86 P2RY6 (0.61) P2RY6ITPR1CA12CA1CA2
SCHEMBL15133654 0.85 P2RY6 (0.61) P2RY6ITPR1CA12CA1CA2
SCHEMBL15493524 0.85 P2RY6 (0.71) P2RY6ITPR1CA12CA1CA2
SCHEMBL16377535 0.84 P2RY6 (0.68) P2RY6ITPR1CA12CA1CA2
SCHEMBL18716036 0.84 P2RY6 (0.68) P2RY6ITPR1CA12CA1CA2
SCHEMBL2622507 0.83 P2RY6 (0.57) P2RY6ITPR1CA12CA1CA2
SCHEMBL23322297 0.82 P2RY6 (0.63) P2RY6ITPR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204458-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2017-07-20 — — US disclosed
US-9605310-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2017-03-28 — — US disclosed
US-20170067104-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LTD. (GB) 2017-03-09 — — US disclosed
US-20170002407-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2017-01-05 — — US disclosed
US-9410200-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2016-08-09 — — US disclosed
US-9388463-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2016-07-12 — — US disclosed
US-20160060692-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LTD. (GB) 2016-03-03 — — US disclosed
US-20160002719-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LTD. (GB) 2016-01-07 — — US disclosed
US-9121062-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2015-09-01 — — US disclosed
US-20130189743-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2013-07-25 — — US disclosed
US-8394586-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2013-03-12 — — US disclosed
US-20120252010-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2012-10-04 — — US disclosed
US-20120202196-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2012-08-09 — — US disclosed
US-8148064-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2012-04-03 — — US disclosed
US-20110183327-A1 Labelled nucleotides ILLUMINA CAMBRIDGE LTD. (GB) 2011-07-28 — — US disclosed
US-7785796-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2010-08-31 — — US disclosed
US-20100028885-A1 Labelled nucleotides ILLUMINA CAMBRIDGE LTD. (GB) 2010-02-04 — — US 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-20170204458-A1 LABELLED NUCLEOTIDES NT5C2, NUDT1, NUDT14 P2RY6 96/4885ITPR1 1665/4885CA12 3861/4885
US-20170002407-A1 LABELLED NUCLEOTIDES NT5C2, NUDT1, NUDT14 P2RY6 96/4885ITPR1 1665/4885CA12 3861/4885
US-20120252010-A1 LABELLED NUCLEOTIDES NT5C2, NUDT1, NUDT14 P2RY6 96/4885ITPR1 1665/4885CA12 3861/4885

“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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