SCHEMBL5196565

SCHEMBL5196565

Cc1ccc(C(=O)Nc2nc(-c3ccccc3)sc2C(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ADORA3 P0DMS8 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA1 P30542 2/20 0.43
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL5196570 0.84 MAPT (0.45) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A
SCHEMBL5196774 0.82 NPC1 (0.56) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A
SCHEMBL5193171 0.79 DHODH (0.52) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL5194094 0.77 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL10236637 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL5195674 0.76 XDH (0.62) SMN1; SMN2ALDH1A1HPGDKMT2ARAB9A
SCHEMBL5551093 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A
SCHEMBL8868197 0.73 RAB9A (0.70) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A
SCHEMBL5193754 0.72 TRPM8 (0.53) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A
SCHEMBL5194973 0.71 KMT2A (0.57) SMN1; SMN2ALDH1A1HPGDNPSR1KMT2A

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 669/4885ALDH1A1 198/4885HPGD 2734/4885

“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.