SCHEMBL5193746

SCHEMBL5193746

CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TRPM8 Q7Z2W7 3/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CDC7 O00311 2/20 0.40
▸ DBF4 Q9UBU7 2/20 0.40
▸ FABP4 P15090 1/20 0.39

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
SCHEMBL5196998 0.86 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C9CYP2C19TRPM8
SCHEMBL5193749 0.86 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5195339 0.83 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19TRPM8
SCHEMBL5193285 0.74 POLB (0.51) TRPM8TP53SMN1; SMN2NPC1KDM4E
SCHEMBL5193874 0.74 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19TRPM8
SCHEMBL5195687 0.74 CYP1A2 (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5193171 0.73 DHODH (0.52) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2158053 0.72 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5195685 0.72 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5196876 0.72 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19TRPM8SMN1; SMN2

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-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP claimed
US-6936629-B2 Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-08-30 — — US claimed
US-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-10-23 — — US claimed
EP-1321463-A1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections Shire Biochem Inc. (CA) 2003-06-25 — — EP claimed
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP disclosed
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP disclosed
US-6936629-B2 Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-08-30 — — US disclosed
US-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-10-23 — — US disclosed
EP-1321463-A1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections Shire Biochem Inc. (CA) 2003-06-25 — — EP 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-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections HAVCR2, ZC3HAV1, EIF2AK2 CYP3A4 466/4885CYP1A2 526/4885CYP2D6 1295/4885

“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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