SCHEMBL4582075

SCHEMBL4582075

CSc1ccc(NC(=S)NC2CCN(c3nccc4ccccc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PHGDH O43175 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HTR2C P28335 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL4779994 0.98 MALT1 (0.44) MALT1HRH4MAPTRXFP1SIGMAR1
SCHEMBL4584337 0.90 MALT1 (0.45) MALT1HRH4PHGDHCA12CA1
SCHEMBL4582726 0.89 POLB (0.53) MALT1HRH4PHGDH
SCHEMBL4582822 0.89 ALDH1A1 (0.51) HRH4CA12CA1CA2CA4
SCHEMBL4583157 0.86 MALT1 (0.51) MALT1MAPT
SCHEMBL4584127 0.85 HTT (0.56) MALT1HRH4PHGDHHTR2C
SCHEMBL4583253 0.84 HTR2C (0.45) MALT1HRH4PHGDHCA12CA1
SCHEMBL4583335 0.84 MEN1 (0.55) MALT1MAPT
SCHEMBL4725222 0.84 HTT (0.46) MALT1HRH4PHGDHHTR2C
SCHEMBL4582850 0.81 ALDH1A1 (0.53) MALT1HRH4PHGDHHTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 MALT1 628/4885HRH4 44/4885MAPT 4796/4885

“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.