SCHEMBL855506

SCHEMBL855506

CCCCCCCCc1ccc(NCc2ccc(CO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.58
S1PR1 P21453 3/20 0.52
S1PR3 Q99500 3/20 0.52
S1PR2 O95136 2/20 0.52
S1PR4 O95977 1/20 0.52
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51

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
SCHEMBL10931913 0.92 SPHK1 (0.58) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL854760 0.85 PLK1 (0.59) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL11835323 0.85 PLK1 (0.59) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7769065 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A
SCHEMBL359311 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A
SCHEMBL11031408 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A
SCHEMBL9600021 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A
SCHEMBL4297552 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A
SCHEMBL176980 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A
SCHEMBL359570 0.84 ESR1 (0.69) S1PR1S1PR3S1PR4ESR1ADRA2A

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
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 SPHK1 389/4885S1PR1 152/4885S1PR3 227/4885

“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.