SCHEMBL16367548

SCHEMBL16367548

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.35
▸ GJB2 P29033 2/20 0.35
▸ PTPN1 P18031 4/20 0.35
▸ CDC25B P30305 4/20 0.35
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ TACR1 P25103 2/20 0.32
▸ SELP P16109 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ TACR2 P21452 1/20 0.31

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
SCHEMBL16367582 0.84 SLC6A2 (0.33) SLC6A2GJB2PTPN1CDC25BNT5E
SCHEMBL17826455 0.82 SSTR1 (0.39) GJB2PTPN1CDC25BSSTR1SSTR2
SCHEMBL26452998 0.82 SELP (0.37) SLC6A2GJB2PTPN1CDC25BSSTR1
SCHEMBL22168445 0.76 SSTR1 (0.47) GJB2PTPN1CDC25BSSTR1SSTR2
SCHEMBL27064271 0.76 SSTR1 (0.47) GJB2PTPN1CDC25BSSTR1SSTR2
SCHEMBL16158865 0.73 SSTR1 (0.48) SLC6A2GJB2PTPN1CDC25BSSTR1
SCHEMBL16158859 0.73 SSTR1 (0.48) SLC6A2GJB2PTPN1CDC25BSSTR1
SCHEMBL16158863 0.73 SSTR1 (0.48) SLC6A2GJB2PTPN1CDC25BSSTR1
SCHEMBL14477827 0.72 SELP (0.32) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL16980592 0.72 SELP (0.32) SSTR1SSTR2SSTR4SSTR3SSTR5

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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