SCHEMBL5194112

SCHEMBL5194112

Cc1ccc(C(=O)N(c2nc(-c3ccccc3)sc2C(=O)O)C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL5196153 0.84 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AGAAKDM4ERARA
SCHEMBL5194116 0.84 USP2 (0.40) SMN1; SMN2RAB9AGAAKDM4ERARA
SCHEMBL14430682 0.78 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AGAAKDM4ERARA
SCHEMBL5195339 0.77 CYP1A2 (0.46) SMN1; SMN2RAB9AKDM4EMAPTL3MBTL1
SCHEMBL3814563 0.75 KDM4E (0.43) RAB9AKDM4EMAPTNPSR1USP2
SCHEMBL5196876 0.74 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AKDM4ERARARARB
SCHEMBL5193911 0.71 RAB9A (0.42) SMN1; SMN2RAB9AGAAKDM4EMAPT
SCHEMBL5196161 0.71 RAB9A (0.46) SMN1; SMN2RAB9AGAAKDM4ERARA
SCHEMBL14505572 0.71 NPC1 (0.50) RAB9AGAAKDM4EMAPTALDH1A1
SCHEMBL2511421 0.70 HSD17B1 (0.45) RAB9AKDM4EMAPTNPSR1NPC1

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 SMN1; SMN2 669/4885RAB9A 1550/4885GAA 501/4885

“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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