SCHEMBL14048869

SCHEMBL14048869

CCC(=O)N(c1cc(-c2ccccc2)sc1C(=O)O)C1CCS(=O)(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
OPRM1 P35372 3/20 0.40
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL13093691 0.88 OPRM1 (0.41) ALDH1A1SMN1; SMN2HTTKDM4EOPRM1
SCHEMBL14049057 0.88 KDM4E (0.44) ALDH1A1SMN1; SMN2HTTKDM4EMITF
SCHEMBL14048974 0.87 OPRM1 (0.41) ALDH1A1SMN1; SMN2HTTKDM4EOPRM1
SCHEMBL14048975 0.87 KDM4E (0.42) ALDH1A1SMN1; SMN2HTTKDM4EOPRM1
SCHEMBL14136642 0.87 KDM4E (0.42) ALDH1A1SMN1; SMN2HTTKDM4EOPRM1
SCHEMBL13355831 0.85 OPRM1 (0.39) ALDH1A1SMN1; SMN2HTTKDM4EOPRM1
SCHEMBL2876795 0.85 KDM4E (0.39) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL2878549 0.85 KDM4E (0.39) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL14136660 0.84 OPRM1 (0.39) ALDH1A1SMN1; SMN2HTTKDM4EOPRM1
SCHEMBL14049049 0.82 OPRD1 (0.46) OPRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX ALDH1A1 1591/4885SMN1; SMN2 1088/4885HTT 2862/4885

“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.