Sugi Predict

Sugi Predict / Compounds / SCHEMBL1931052

SCHEMBL1931052

SCHEMBL1931052

CC(C)(C)[C@H](NC(=O)c1cc2c(O)cccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ ELANE P08246 4/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ DGAT1 O75907 2/20 0.32
▸ SLC6A7 Q99884 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32

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
SCHEMBL1931089 0.93 BRD4 (0.37) HTR2BTNKSBRD4ELANESTAT6
SCHEMBL1549976 0.89 CYP51A1 (0.40) HTR2BHRH4STAT6
SCHEMBL1550050 0.89 CYP51A1 (0.40) HTR2BHRH4STAT6
SCHEMBL19856859 0.89 CYP51A1 (0.40) HTR2BHRH4STAT6
SCHEMBL1932624 0.87 GRIN2D (0.35) HTR2BHRH4GRIN2DGRIN3BGRIN1
SCHEMBL1550137 0.85 STAT6 (0.35) HTR2BSTAT6
SCHEMBL16474120 0.85 STAT6 (0.39) HTR2BSTAT6
SCHEMBL1549516 0.85 CYP51A1 (0.43) STAT6MEN1KMT2A
SCHEMBL1550195 0.85 ALOX15 (0.42) STAT6DGAT1SLC6A7
SCHEMBL1550608 0.85 AR (0.40) HTR2BSTAT6DGAT1ALBIL2

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
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 — — EP claimed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 — — EP claimed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 — — US claimed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 — — US claimed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 — — EP disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 — — US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 — — US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 — — US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 — — 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 (1 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-20110130400-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV1 HTR2B 114/4885HRH4 122/4885GRIN2D 784/4885

“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.