SCHEMBL4155589

SCHEMBL4155589

Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HTR6 P50406 4/20 0.45
BRD4 O60885 5/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ESR1 P03372 1/20 0.41
CYP19A1 P11511 1/20 0.41
BRAF P15056 1/20 0.41
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4157628 0.94 ALDH1A1 (0.50) ALDH1A1HTR6MEN1KMT2ABRAF
SCHEMBL4158099 0.92 BRD4 (0.54) HTR6BRD4PTGDR2
SCHEMBL4162383 0.91 MAPT (0.46) ALDH1A1HTR6BRD4MEN1KMT2A
SCHEMBL4162539 0.91 MEN1 (0.51) HTR6BRD4MEN1KMT2APKM
SCHEMBL4155597 0.91 HTR6 (0.45) HTR6BRD4PTGDR2ESR1BRAF
SCHEMBL4169893 0.91 BRD4 (0.53) HTR6BRD4PTGDR2ESR1MAPT
SCHEMBL4159951 0.91 BCL2 (0.46) ALDH1A1HTR6BRD4ESR1POLB
SCHEMBL4162500 0.90 PTGDR2 (0.45) ALDH1A1HTR6BRD4PTGDR2TP53
SCHEMBL4164244 0.90 BRD4 (0.55) ALDH1A1HTR6BRD4PTGDR2MEN1
SCHEMBL4162654 0.90 BRD4 (0.55) ALDH1A1HTR6BRD4MEN1KMT2A

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 4 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 claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
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 ALDH1A1 3830/4885HTR6 4018/4885BRD4 545/4885

“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.