SCHEMBL4159606

SCHEMBL4159606

CS(=O)(=O)Nc1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 4/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
GPR17 Q13304 1/20 0.37
APEX1 P27695 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
NEK1 Q96PY6 1/20 0.36
PADI4 Q9UM07 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP12 Q9H0J9 1/20 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
SCHEMBL4161892 0.90 TDP2 (0.39) SPRHPGDCYP2C19BRD4PADI4
SCHEMBL4157962 0.88 HPGD (0.40) SPRHPGDCYP2C19BRD4GPR17
SCHEMBL4166962 0.87 HPGD (0.42) HPGDCYP2C19BRD4GPR17APEX1
SCHEMBL4158099 0.87 BRD4 (0.54) BRD4HTR6
SCHEMBL4155589 0.87 ALDH1A1 (0.50) BRD4HTR6ALDH1A1
Hydrochloric Acid SCHEMBL4168323 0.86 HPGD (0.41) HPGDCYP2C19BRD4GPR17APEX1
SCHEMBL4157612 0.85 BRD4 (0.58) HPGDBRD4PARP14KDM4EALDH1A1
SCHEMBL3246300 0.85 HPGD (0.47) HPGDCYP2C19BRD4CA12CA9
SCHEMBL4162539 0.85 MEN1 (0.51) BRD4HTR6KDM4EALOX15HSD17B10
SCHEMBL4162383 0.85 MAPT (0.46) HPGDBRD4CA12CA9HTR6

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 SPR 3016/4885HPGD 882/4885CYP2C19 4277/4885

“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.