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SCHEMBL5035182

SCHEMBL5035182

CCO[C@@H]1CCN(C(=O)c2cnc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)s2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.39
▸ VNN1 O95497 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PROKR1 Q8TCW9 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ EPHX2 P34913 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34

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
SCHEMBL14190193 1.00 CYP3A4 (0.39) CYP3A4VNN1TAAR1TSHRNPC1
SCHEMBL5035178 1.00 CYP3A4 (0.39) CYP3A4VNN1TAAR1TSHRNPC1
SCHEMBL14190192 0.92 RAB9A (0.39) CYP3A4VNN1NPC1RAB9APROKR1
SCHEMBL5034740 0.92 RAB9A (0.39) CYP3A4VNN1NPC1RAB9APROKR1
SCHEMBL5034741 0.92 RAB9A (0.39) CYP3A4VNN1NPC1RAB9APROKR1
SCHEMBL5035195 0.85 CYP3A4 (0.38) CYP3A4VNN1TAAR1TSHRRAB9A
SCHEMBL5035192 0.85 CYP3A4 (0.38) CYP3A4VNN1TAAR1TSHRRAB9A
SCHEMBL5032542 0.82 HPGD (0.42) CYP3A4NPC1RAB9AHPGDPPARG
SCHEMBL5034838 0.81 LMNA (0.46) CYP3A4TSHRRAB9AHPGDPPARG
SCHEMBL5034874 0.80 HPGD (0.42) CYP3A4EPHX2HPGDPPARGNCOA2

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
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 — — EP disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 — — EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 — — US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO 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 CYP3A4 693/4885VNN1 4383/4885TAAR1 20/4885

“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.