SCHEMBL4155597

SCHEMBL4155597

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
BRD4 O60885 2/20 0.44
POLB P06746 2/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
TBXA2R P21731 1/20 0.43
TBXAS1 P24557 1/20 0.41
PKM P14618 1/20 0.41
ESR1 P03372 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL4161137 0.94 POLB (0.50) HTR6BRD4POLBPKMBRAF
SCHEMBL4158099 0.92 BRD4 (0.54) HTR6BRD4PTGDR2
SCHEMBL4169893 0.91 BRD4 (0.53) HTR6BRD4PTGDR2ESR1
SCHEMBL4155589 0.91 ALDH1A1 (0.50) HTR6BRD4POLBPTGDR2PKM
SCHEMBL4159951 0.91 BCL2 (0.46) HTR6BRD4POLBESR1
SCHEMBL4160914 0.90 PTGDR2 (0.45) HTR6BRD4POLBPTGDR2
SCHEMBL4166792 0.89 PTGDR2 (0.41) HTR6BRD4POLBPTGDR2PKM
SCHEMBL4162539 0.89 MEN1 (0.51) HTR6BRD4PKM
SCHEMBL4162383 0.89 MAPT (0.46) HTR6BRD4
SCHEMBL4167129 0.89 POLB (0.41) BRD4POLBPKMBRAF

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 HTR6 4018/4885BRD4 545/4885POLB 1007/4885

“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.