Sugi Predict

Sugi Predict / Compounds / SCHEMBL5034827

SCHEMBL5034827

SCHEMBL5034827

O=C(c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC(F)(F)F)cc2)n1)N1CC[C@@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ MGLL Q99685 2/20 0.38
▸ SCN9A Q15858 5/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ TRPC3 Q13507 1/20 0.35
▸ TRPC6 Q9Y210 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ GIPR P48546 1/20 0.33

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
SCHEMBL5034825 1.00 EPHX2 (0.40) EPHX2MGLLSCN9AHTR2CSCN10A
SCHEMBL5032557 0.93 PDK2 (0.39) MGLLSCN9AHTR2CSCN10AABL1
SCHEMBL5032568 0.93 PDK2 (0.39) MGLLSCN9AHTR2CSCN10AABL1
SCHEMBL5034675 0.91 LIPE (0.43) EPHX2MGLLSCN9AHTR2CSCN10A
SCHEMBL5034677 0.91 LIPE (0.43) EPHX2MGLLSCN9AHTR2CSCN10A
SCHEMBL5032540 0.90 HTR2C (0.42) HTR2CTRPC3TRPC6KMT2APKM
SCHEMBL5032717 0.90 HTR2C (0.42) HTR2CTRPC3TRPC6KMT2APKM
SCHEMBL5032538 0.90 HTR2C (0.42) HTR2CTRPC3TRPC6KMT2APKM
SCHEMBL5035020 0.89 NPC1 (0.39) EPHX2MGLLHTR2CTRPC3TRPC6
SCHEMBL5035047 0.84 HSD11B1 (0.40) EPHX2MGLLTRPC3TRPC6RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 — — EP claimed
JP-2007513193-A — — 2007-05-24 — — JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 — — EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 — — US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 — — EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 — — 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 (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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 EPHX2 1229/4885MGLL 456/4885SCN9A 2018/4885

“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.