SCHEMBL4153191

SCHEMBL4153191

CC(C)(C)OC(=O)C1CCC(CNS(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TGFBR1 P36897 4/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL3250055 0.89 POLB (0.43) KMT2AMEN1CYP2C9ALDH1A1POLB
SCHEMBL3245352 0.84 HTR2C (0.42) KMT2AMEN1CYP2C9ALDH1A1POLB
SCHEMBL3244460 0.83 POLB (0.36) ACACBKMT2AMEN1CYP2C9POLB
SCHEMBL4153193 0.83 GAA (0.39) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3248398 0.81 POLB (0.40) KMT2AMEN1CYP2C9ALDH1A1POLB
SCHEMBL4159322 0.77 CCR8 (0.43) KMT2AMEN1CYP2C9ALDH1A1POLB
SCHEMBL3243070 0.77 HTR4 (0.39) KMT2AMEN1CYP2C9ALDH1A1POLB
SCHEMBL3250694 0.76 PARP1 (0.45) KMT2AMEN1CYP2C9ALDH1A1POLB
SCHEMBL3243012 0.76 PARG (0.56) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3244394 0.76 BCL2L1 (0.39) KMT2AMEN1CYP2C9ALDH1A1POLB

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 ACACB 1756/4885KMT2A 1882/4885MEN1 3749/4885

“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.