SCHEMBL14049046

SCHEMBL14049046

CCC(=O)N(c1cc(-c2ccc(F)cc2)sc1C(=O)O)C1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ OPRM1 P35372 3/20 0.40
▸ CHUK O15111 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL14048973 0.91 OPRM1 (0.43) MAPTOPRM1MEN1POLBKMT2A
SCHEMBL13093691 0.90 OPRM1 (0.41) IKBKBKDM4ENPC1MAPTRAB9A
SCHEMBL14049089 0.90 OPRD1 (0.36) IKBKBOPRM1MEN1POLBKMT2A
SCHEMBL14136645 0.89 PTPN1 (0.41) IKBKBKDM4ENPC1MAPTRAB9A
SCHEMBL14049090 0.89 IKBKB (0.42) IKBKBKDM4ENPC1MAPTRAB9A
SCHEMBL14049055 0.88 ALDH1A1 (0.44) IKBKBKDM4ENPC1MAPTRAB9A
SCHEMBL14136625 0.87 CHEK1 (0.35) OPRM1
SCHEMBL2871039 0.85 IKBKB (0.42) IKBKBKDM4ENPC1MAPTRAB9A
SCHEMBL14136642 0.83 KDM4E (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL14048975 0.83 KDM4E (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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 IKBKB 994/4885KDM4E 1505/4885NPC1 146/4885

“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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