SCHEMBL4173768

SCHEMBL4173768

CC(C)(C)OC(=O)NC1CCC(S(=O)(=O)c2cc3c(cc2Cl)[nH]c(=O)c2[nH]cc(CCCC(=O)O)c23)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
BTK Q06187 3/20 0.34
MAPK8 P45983 1/20 0.32
DDR1 Q08345 1/20 0.32
KAT8 Q9H7Z6 1/20 0.31
MCL1 Q07820 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
SCHEMBL3244351 0.86 BTK (0.40) KAT6AKAT5BTKMAPK8DDR1
SCHEMBL3244356 0.86 BTK (0.40) KAT6AKAT5BTKMAPK8DDR1
Hydrochloric Acid SCHEMBL4161185 0.83 GPR17 (0.32)
Hydrochloric Acid SCHEMBL4161189 0.83 GPR17 (0.32)
Butyric Acid SCHEMBL4173769 0.83 KAT6A (0.38) KAT6AKAT5BTKMAPK8DDR1
SCHEMBL4161880 0.77 BRD4 (0.43) DDR1MCL1
SCHEMBL4171744 0.76 PKM (0.35)
SCHEMBL4153781 0.69 KDM4E (0.32)
SCHEMBL4153570 0.69 SCN9A (0.32)
SCHEMBL4171968 0.69 PKM (0.35)

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 KAT6A 2033/4885KAT5 2720/4885BTK 176/4885

“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.