SCHEMBL5041155

SCHEMBL5041155

COc1cc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)O)cs2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMO O15229 1/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
PYGL P06737 1/20 0.36
PTGER2 P43116 1/20 0.35
ATM Q13315 1/20 0.35
TTR P02766 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDM4E B2RXH2 1/20 0.34
IGFBP3 P17936 1/20 0.34
LTC4S Q16873 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
SCHEMBL5032527 0.94 ALDH1A1 (0.46) CYP3A4ALDH1A1TSHRMAPTRAB9A
SCHEMBL5035778 0.90 RAB9A (0.46) CYP3A4TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL5035149 0.89 ALDH1A1 (0.41) CYP3A4ALDH1A1TSHRMAPTRAB9A
SCHEMBL5034876 0.88 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRMAPTRAB9A
SCHEMBL6491942 0.87 TSHR (0.42) ALDH1A1TSHRATMMEN1CRHBP
SCHEMBL5034952 0.86 CYP3A4 (0.46) CYP3A4TSHRRAB9ASMN1; SMN2CASP1
SCHEMBL5034712 0.86 KMT2A (0.40) ALDH1A1RAB9ASMN1; SMN2MEN1CRHBP
SCHEMBL5032622 0.86 FLT1 (0.40) CYP3A4ALDH1A1TSHRMAPTRAB9A
SCHEMBL5032643 0.86 FLT1 (0.38) CYP3A4ALDH1A1TSHRMAPTRAB9A
SCHEMBL5034722 0.84 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRMAPTRAB9A

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 5 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 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 693/4885ALDH1A1 473/4885KMO 2281/4885

“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.