SCHEMBL16367582

SCHEMBL16367582

CC[C@@H](OCc1ccccc1)[C@@H](C)[C@H](COC1OC(COCc2ccccc2)C(C)C(C)C1C)N=[N+]=[N-]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ GJB2 P29033 2/20 0.33
▸ PTPN1 P18031 2/20 0.31
▸ CDC25B P30305 2/20 0.31
▸ NT5E P21589 1/20 0.31
▸ SELP P16109 1/20 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
SCHEMBL16367548 0.84 SLC6A2 (0.35) SLC6A2GJB2PTPN1CDC25BNT5E
SCHEMBL17826458 0.83 NT5E (0.36) GJB2PTPN1CDC25BNT5ESELP
SCHEMBL22168482 0.78 PTPN1 (0.42) GJB2PTPN1CDC25BNT5E
SCHEMBL16772388 0.74 SELP (0.39) SLC6A2SELP
SCHEMBL16772382 0.74 SELP (0.39) SLC6A2SELP
SCHEMBL16772374 0.73 SELP (0.32) SELP
SCHEMBL16772369 0.72 SELP (0.35) SELP
SCHEMBL16367607 0.71 MAPT (0.35) —
SCHEMBL17826455 0.71 SSTR1 (0.39) GJB2PTPN1CDC25BNT5ESELP
SCHEMBL26452998 0.71 SELP (0.37) SLC6A2GJB2PTPN1CDC25BSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368002-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2017-12-28 — — US disclosed
US-20160361280-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2016-12-15 — — US disclosed
US-20150010496-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME THE UNIVERSITY OF BIRMINGHAM (GB) 2015-01-08 — — 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-20160361280-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG SLC6A2 4866/4885GJB2 4101/4885PTPN1 2748/4885
US-20170368002-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG SLC6A2 4866/4885GJB2 4101/4885PTPN1 2748/4885
US-20150010496-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG SLC6A2 4866/4885GJB2 4101/4885PTPN1 2748/4885

“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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