SCHEMBL12564367

SCHEMBL12564367

CNC(=O)CCNC(=O)CSCCCC(=O)NCCCOC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 4/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL23056678 0.85 CASP2 (0.44) HPGDLMNAMAPTEPHX2CNR1
SCHEMBL10044368 0.82 TSHR (0.85) TSHRKDM4EHPGDKMT2AMEN1
SCHEMBL23056679 0.81 LMNA (0.37) TSHRHPGDHTTLMNAMAPT
SCHEMBL12417191 0.81 TSHR (0.75) TSHRKDM4EHPGDKMT2AMEN1
SCHEMBL10044364 0.77 ALDH1A1 (0.42) TSHRKDM4EHPGDKMT2AHTT
SCHEMBL25072150 0.77 SIGMAR1 (0.39) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL27368810 0.74 TSHR (0.75) TSHRKDM4EHPGDKMT2AMEN1
SCHEMBL12013650 0.74 TSHR (0.88) TSHRKDM4EHPGDKMT2AMEN1
SCHEMBL4270085 0.74 TSHR (0.88) TSHRKDM4EHPGDKMT2AMEN1
SCHEMBL12013653 0.74 TSHR (0.88) TSHRKDM4EHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117997-A1 POLYSACCHARIDE COMPOSITIONS FOR USE IN TREATING FILARIASIS THE BRIGHAM AND WOMEN'S HOSPITAL INC. (US) 2022-04-21 — — US disclosed
US-10034927-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-31 — — US disclosed
US-20160375117-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-12-29 — — US disclosed
US-9474806-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-25 — — US disclosed
US-20140037633-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-02-06 — — US disclosed
US-8492364-B2 Methods and compositions relating to synthetic β-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-07-23 — — US disclosed
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 — — 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 (5 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-20160375117-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, B3GAT3, OGT TSHR 3837/4885KDM4E 3717/4885HPGD 1443/4885
US-20140037633-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 TSHR 4116/4885KDM4E 4150/4885HPGD 1204/4885
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 TSHR 4116/4885KDM4E 4150/4885HPGD 1204/4885
US-10034927-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT TSHR 3837/4885KDM4E 3717/4885HPGD 1443/4885
US-20220117997-A1 POLYSACCHARIDE COMPOSITIONS FOR USE IN TREATING FILARIASIS FUT5, FUT6, B3GNT2 TSHR 4279/4885KDM4E 3056/4885HPGD 1768/4885

“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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