SCHEMBL4155388

SCHEMBL4155388

CC(C)(C)OC(=O)Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
JAK2 O60674 1/20 0.40
HDAC1 Q13547 7/20 0.37
HDAC3 O15379 7/20 0.37
HDAC2 Q92769 6/20 0.37
HDAC10 Q969S8 6/20 0.37
HDAC8 Q9BY41 5/20 0.37
SCN9A Q15858 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HDAC4 P56524 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
HDAC6 Q9UBN7 5/20 0.35

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
SCHEMBL4166406 0.92 MAP4K4 (0.41) CYP17A1JAK2HDAC1HDAC3HDAC2
SCHEMBL4165158 0.88 MME (0.42) CYP17A1TRPV1
SCHEMBL4160163 0.86 TRPV1 (0.41) SCN9ATRPV1GABRA1GABRG2GABRB3
SCHEMBL3251493 0.85 CYP17A1 (0.45) CYP17A1JAK2HDAC1HDAC3HDAC2
SCHEMBL3254375 0.84 CYP17A1 (0.44) CYP17A1JAK2HDAC1HDAC3HDAC2
SCHEMBL4161892 0.83 TDP2 (0.39) BRD4
SCHEMBL4153837 0.82 GPR17 (0.45)
SCHEMBL3249904 0.82 JAK3 (0.44) CYP17A1JAK2
SCHEMBL3243042 0.80 CYP17A1 (0.41) CYP17A1JAK2HDAC1HDAC3HDAC2
SCHEMBL4166164 0.80 GPR17 (0.40) TRPV1

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 CYP17A1 2672/4885JAK2 70/4885HDAC1 863/4885

“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.