SCHEMBL5193754

SCHEMBL5193754

Cc1ccc(C(=O)Nc2nc(-c3ccccc3)sc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.53
ADORA3 P0DMS8 8/20 0.51
ADORA1 P30542 6/20 0.51
ADORA2A P29274 4/20 0.48
RXFP1 Q9HBX9 3/20 0.46
TMIGD3 P0DMS9 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
PPARG P37231 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5196634 0.79 TRPM8 (0.46) TRPM8ALDH1A1HPGDMEN1NPC1
SCHEMBL5193911 0.77 RAB9A (0.42) TRPM8ALDH1A1NPSR1HPGDMEN1
SCHEMBL16312760 0.77 SMN1; SMN2 (0.66) TRPM8ALDH1A1NPSR1HPGDMEN1
SCHEMBL15049161 0.76 MAPT (0.65) TRPM8ALDH1A1MEN1NPC1KMT2A
SCHEMBL5193948 0.75 TRPM8 (0.47) TRPM8RXFP1ALDH1A1NPSR1HPGD
SCHEMBL5197191 0.74 CDC7 (0.52) TRPM8ALDH1A1NPSR1HPGDNPC1
SCHEMBL5195674 0.73 XDH (0.62) ADORA3ADORA1ADORA2ARXFP1TMIGD3
SCHEMBL5196774 0.73 NPC1 (0.56) TRPM8ADORA3ADORA1ADORA2AALDH1A1
SCHEMBL5196565 0.72 SMN1; SMN2 (0.51) TRPM8ADORA3ADORA1ADORA2ARXFP1
SCHEMBL2481891 0.70 L3MBTL1 (0.49) TRPM8ALDH1A1NPSR1HPGDMEN1

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
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 TRPM8 2212/4885ADORA3 3992/4885ADORA1 3126/4885

“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.