SCHEMBL2157674

SCHEMBL2157674

CCC(=O)N(Cc1ccccc1C)c1csc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 7/20 0.41
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2157862 0.92 MEN1 (0.45) HCRTR1ALDH1A1HPGDALOX15MEN1
SCHEMBL2157659 0.88 TSPO (0.43) HCRTR1ALDH1A1HPGDALOX15USP2
SCHEMBL12464386 0.85 PTGDR2 (0.54) PTGDR2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2158851 0.83 LTB4R2 (0.48) PTGDR2ALDH1A1MEN1KMT2ALTB4R2
SCHEMBL6625774 0.83 NPC1 (0.41) HCRTR1ALDH1A1KMT2ARAB9A
SCHEMBL2158429 0.80 LTB4R2 (0.47) PTGDR2ALDH1A1KMT2ALTB4R2MAPT
SCHEMBL2158287 0.79 PTGDR2 (0.46) PTGDR2ALDH1A1KMT2ALTB4R2MAPT
SCHEMBL2157764 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2ALTB4R2
SCHEMBL2158410 0.78 PTGES (0.48) PTGDR2ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL2157522 0.77 PTGDR2 (0.56) PTGDR2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS PTGDR2 4606/4885HCRTR1 1634/4885ALDH1A1 684/4885

“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.