SCHEMBL103648

SCHEMBL103648

COCOc1cnc(C)cc1B(O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ SLC6A2 P23975 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30

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
SCHEMBL21711901 0.82 ENPP2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL29954372 0.82 ENPP2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL18224040 0.81 NPC1 (0.32) XDH
SCHEMBL25955725 0.78 UHRF1 (0.42) PTPN1XDHSLC6A2SLC6A4SLC6A3
SCHEMBL24046844 0.77 SLC6A2 (0.42) XDHSLC6A2SLC6A4SLC6A3
SCHEMBL29444441 0.75 SLC6A2 (0.37) XDHSLC6A2SLC6A4SLC6A3
SCHEMBL1054325 0.75 SLC6A2 (0.37) XDHSLC6A2SLC6A4SLC6A3
SCHEMBL1800081 0.75 EGFR (0.32) XDH
SCHEMBL29951021 0.74 ACHE (0.39) PTPN1
SCHEMBL2703903 0.74 ACHE (0.39) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 — — CN disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 — — EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 — — US disclosed
CN-102438991-A Carbinol compounds having a heterocyclic linker KOWA CO 2012-05-02 — — CN disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 — — US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 — — EP disclosed
CN-102105452-A Substituted carbinol compound having cyclic linker KOWA CO 2011-06-22 — — CN disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 — — EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 — — US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 — — 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 (2 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 PTPN1 2803/4885XDH 892/4885SLC6A2 4522/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR PTPN1 3629/4885XDH 1619/4885SLC6A2 4239/4885

“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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