SCHEMBL2620472

SCHEMBL2620472

CCC(=O)N(c1cc(Br)sc1C(=O)OC)C1COCOC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
PPARG P37231 1/20 0.30
NCOA1 Q15788 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL2620469 0.87 KMT2A (0.31) KMT2AKDM4EALDH1A1HPGDATM
SCHEMBL2620388 0.84 KDM4E (0.33) KMT2AKDM4EALDH1A1HPGDATM
SCHEMBL2620386 0.84 TP53 (0.33) KMT2AKDM4EALDH1A1HPGDATM
SCHEMBL2108456 0.83 NR1I2 (0.32) KDM4EALDH1A1ATM
SCHEMBL2108455 0.83 NR1I2 (0.32) KDM4EALDH1A1ATM
SCHEMBL14214795 0.82 TP53 (0.32) KMT2AKDM4EALDH1A1HPGDATM
SCHEMBL2620473 0.79
SCHEMBL12464522 0.72 KMT2A (0.37) KMT2AKDM4EALDH1A1HPGDATM
SCHEMBL13758719 0.72
SCHEMBL13758729 0.71 KDM4E (0.32) KDM4EALDH1A1HPGDATMHSD17B10

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 KMT2A 3282/4885KDM4E 2984/4885ALDH1A1 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.