SCHEMBL6358919

SCHEMBL6358919

O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
AKR1C2 P52895 3/20 0.53
AKR1C1 Q04828 3/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
IGF2BP2 Q9Y6M1 1/20 0.50
CASP6 P55212 1/20 0.50
KDM1A O60341 1/20 0.49
ITGA1 P56199 1/20 0.49
ALB P02768 1/20 0.48
ABL1 P00519 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
METAP2 P50579 2/20 0.47
WDR5 P61964 1/20 0.46
KCNK2 O95069 2/20 0.46

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
SCHEMBL4098345 0.91 MEN1 (0.67) CCR9MEN1KMT2AAKR1C2AKR1C1
SCHEMBL6353431 0.90 CCR9 (0.58) CCR9MEN1KMT2AIGF2BP2KDM1A
SCHEMBL6349464 0.86 MEN1 (0.70) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL6352083 0.85 METAP2 (0.67) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL5597820 0.83 CCR9 (0.72) CCR9KDM1AMETAP2WDR5
SCHEMBL6358095 0.81 MEN1 (0.60) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL26808980 0.80 KMT2A (0.80) MEN1KMT2AITGA1
SCHEMBL4100019 0.80 MEN1 (0.66) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL4105084 0.78 MEN1 (0.84) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL10093399 0.78 POLB (0.74) MEN1KMT2AMAPTWDR5TCF4

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 CCR9 4242/4885MEN1 3274/4885KMT2A 3645/4885

“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.