SCHEMBL2620388

SCHEMBL2620388

CCC(=O)N(c1cc(Br)sc1C(=O)OC)C1CCC(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ATM Q13315 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRD1 P41143 3/20 0.32
OPRM1 P35372 6/20 0.32
SIGMAR1 Q99720 2/20 0.32
SLC22A1 O15245 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB1 P08183 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL2620386 0.91 TP53 (0.33) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL14214795 0.87 TP53 (0.32) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL13758729 0.86 KDM4E (0.32) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL2620472 0.84 KMT2A (0.32) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL2106005 0.84 NR1I2 (0.33) KDM4EATMALDH1A1NR1I2HTT
SCHEMBL2107311 0.84 NR1I2 (0.33) KDM4EATMALDH1A1NR1I2HTT
SCHEMBL2106004 0.84 NR1I2 (0.33) KDM4EATMALDH1A1NR1I2HTT
SCHEMBL2620469 0.81 KMT2A (0.31) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL2620387 0.79 MAPT (0.31) KDM4EATMHTT
SCHEMBL12447254 0.76 MAPK14 (0.40) L3MBTL1

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-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

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 KDM4E 2984/4885ATM 4273/4885ALDH1A1 693/4885

“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.