SCHEMBL4581740

SCHEMBL4581740

FC(F)(F)Oc1ccccc1NC(=S)NC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MALT1 Q9UDY8 1/20 0.42
LMNA P02545 3/20 0.41
ALOX12 P18054 2/20 0.41
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PAK1 Q13153 1/20 0.41
PKM P14618 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
SCHEMBL4582247 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4582850 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4583236 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4581748 0.81 UBE2M (0.44) KDM4EMALT1HCAR2PAK1
SCHEMBL4584127 0.81 HTT (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4583208 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKM
SCHEMBL4583182 0.80 KMT2A (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4584076 0.80 PKM (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4582822 0.80 ALDH1A1 (0.51) ALDH1A1KMT2A
SCHEMBL4584679 0.79 CYP1A2 (0.50) ALDH1A1LMNAPAK1

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 6 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
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 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 ALDH1A1 866/4885SMN1; SMN2 4338/4885KDM4E 4022/4885

“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.