SCHEMBL14092256

SCHEMBL14092256

Cc1ccc(S(=O)(=O)OC[C@H]2C=Cc3ccnc(Br)c3O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
COMT P21964 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
SCHEMBL14046977 0.89 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL12134880 0.84 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL14046970 0.84 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4443279 0.84 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL9882975 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL6756511 0.79 SMN1; SMN2 (0.35) ALDH1A1KDM4ECOMT
SCHEMBL12220269 0.79 MEN1 (0.33) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4619873 0.78 CYP2D6 (0.35) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4619255 0.78 CYP2D6 (0.35) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL6759548 0.78 KMT2A (0.38) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-2118080-B1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME OCERA THERAPEUTICS INC (US) 2016-08-31 EP disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
EP-2644618-A1 tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators Tranzyme Pharma, Inc. (CA) 2013-10-02 EP disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR ALDH1A1 4245/4885CYP3A4 2863/4885CYP2D6 2960/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR ALDH1A1 4297/4885CYP3A4 2898/4885CYP2D6 2807/4885

“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.