SCHEMBL3945304

SCHEMBL3945304

CCCCCC(O)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ LPAR2 Q9HBW0 1/20 0.44
▸ PTGER2 P43116 5/20 0.41
▸ CACNA1F O60840 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ FOLH1 Q04609 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ADRB2 P07550 4/20 0.38

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
SCHEMBL14865579 0.88 LMNA (0.40) S1PR2S1PR1S1PR3LPAR2HTR2A
SCHEMBL13232166 0.82 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL6207044 0.82 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL9121212 0.82 TAAR1 (0.52) CHRM2ADRA2BADRA2CCHRM3SLC6A4
SCHEMBL15352166 0.80 FOLH1 (0.40) S1PR2S1PR1S1PR3LPAR2CHRM2
SCHEMBL23588163 0.80 AOC3 (0.50) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL14717561 0.80 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL5672614 0.80 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL4860981 0.80 HIF1A (0.52) S1PR2S1PR1S1PR3LPAR2CHRM2
SCHEMBL12420337 0.80 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352201-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL EACH COMPRISING THE DYE, AND PROCESS FOR PRODUCING DYE FUJIFILM Corporation (JP) 2011-08-03 — — EP disclosed
US-7576112-B2 Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives ALLERGAN, INC. (US) 2009-08-18 — — US disclosed
US-20090163560-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES OLD DAVID W 2009-06-25 — — US disclosed
EP-2049495-A2 N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES AS PROSTAGLANDINE RECEPTOR INHIBITORS Allergan, Inc. (US) 2009-04-22 — — EP disclosed
US-7507833-B2 Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives ALLERGAN, INC. (US) 2009-03-24 — — US disclosed
US-7507833-B2 Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives ALLERGAN, INC. (US) 2009-03-24 — — US disclosed
US-7507833-B2 Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives ALLERGAN, INC. (US) 2009-03-24 — — US disclosed
WO-2008021933-A2 N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES AS PROSTAGLANDINE RECEPTOR INHIBITORS ALLERGAN, INC. (US) 2008-02-21 — — WO disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 — — US disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 — — US disclosed
WO-2008021933-A2 N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES AS PROSTAGLANDINE RECEPTOR INHIBITORS ALLERGAN, INC. (US) 2008-02-21 — — WO disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 — — 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 (2 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-20090163560-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 S1PR2 1266/4885S1PR1 1608/4885S1PR3 1108/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 S1PR2 1266/4885S1PR1 1608/4885S1PR3 1108/4885

“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.

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