SCHEMBL2624345

SCHEMBL2624345

CCC(=O)N(c1cc(C2=CCCCC2)sc1C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GPR119 Q8TDV5 10/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP13 P45452 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL2107369 0.88 MEN1 (0.38) MEN1KMT2AGPR119EEDRBBP4
SCHEMBL2107370 0.88 MEN1 (0.38) MEN1KMT2AGPR119EEDRBBP4
SCHEMBL10240847 0.87 OPRD1 (0.37) MMP13
SCHEMBL10249706 0.86 MEN1 (0.36) MEN1KMT2AGPR119EEDRBBP4
SCHEMBL2624346 0.85 OPRM1 (0.41)
SCHEMBL13758708 0.84 KDM4E (0.31)
SCHEMBL2620387 0.83 MAPT (0.31)
SCHEMBL13758705 0.83 OPRD1 (0.32) ALDH1A1NPC1RAB9A
SCHEMBL2620381 0.83 SLC6A4 (0.34) ALDH1A1
SCHEMBL13758707 0.82

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-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 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-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 MEN1 1088/4885KMT2A 3282/4885GPR119 1139/4885

“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.