SCHEMBL14049088

SCHEMBL14049088

CCC(=O)N(CC1CCCN(C)C1)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.42
▸ OPRD1 P41143 3/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL14049048 0.92 IKBKB (0.40) OPRD1OPRM1
SCHEMBL2877042 0.87 NR1I2 (0.41) CHEK1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL2878280 0.86 NR1I2 (0.41) CHEK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27633503 0.84 CHEK1 (0.37) CHEK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14048987 0.83 OPRD1 (0.42) CHEK1OPRD1OPRM1
SCHEMBL14136979 0.81 KDM4E (0.48) OPRD1OPRM1
SCHEMBL14049041 0.79 KDM4E (0.40) —
SCHEMBL14031010 0.79 NR1I2 (0.40) CHEK1
SCHEMBL2876967 0.78 KDM4E (0.46) CHEK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2876357 0.77 CYP2E1 (0.42) CHEK1

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 CHEK1 4773/4885OPRD1 4221/4885CHRNB2 4859/4885

“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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