SCHEMBL4154862

SCHEMBL4154862

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 7/20 0.48
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
STAT3 P40763 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL3249322 0.86 MAPT (0.54) PKMMAPTGAAALDH1A1AKR1C3
SCHEMBL4170125 0.83 KDM4E (0.47) PKMMAPTGAAALDH1A1LMNA
SCHEMBL4174088 0.82 HSD17B10 (0.53) PKMMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL4155191 0.81 HPGD (0.42) MAPTALDH1A1
SCHEMBL3250741 0.81 MAPT (0.55) PKMMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL4157677 0.81 GAA (0.53) MAPTGAAALDH1A1TSHRLMNA
SCHEMBL3255459 0.80 MAPT (0.51) PKMMAPTGAAALDH1A1SMN1; SMN2
Propionic Acid SCHEMBL4154867 0.79 TSHR (0.51) PKMMAPTGAAALDH1A1AKR1C3
SCHEMBL4162915 0.79 PDGFRB (0.46) MAPT
SCHEMBL4162519 0.78 DAO (0.42) MAPTALDH1A1SMN1; SMN2AURKATSHR

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 PKM 276/4885MAPT 734/4885GAA 3035/4885

“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.