SCHEMBL3207214

SCHEMBL3207214

CCc1cc(C(=O)O)cc(C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TPMT P51580 1/20 0.33
TTR P02766 1/20 0.33
MYC P01106 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN7 P35236 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
PPARG P37231 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6564952 0.88 TPMT (0.39) MRGPRX4ALDH1A1TPMTTTRMYC
SCHEMBL1175718 0.77 SRC (0.39) HTR1AHTR1DHTR1B
SCHEMBL1811629 0.76 PTGS1 (0.41) MRGPRX4ALDH1A1PPARDPPARAPPARG
SCHEMBL1741097 0.76 EPAS1 (0.33) MRGPRX4HTR1AHTR1DHTR1B
SCHEMBL2647669 0.76 METAP2 (0.35) HTR1AHTR1DHTR1BHSD11B1CXCR2
SCHEMBL3203223 0.76 TSHR (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1187812 0.75 PPARA (0.46) ALDH1A1PPARAPPARGRAB9ACXCR2
SCHEMBL14449434 0.74 KDM4E (0.34) MRGPRX4ALDH1A1HTR1AHTR1DHTR1B
SCHEMBL5640607 0.73 ALDH1A1 (0.42) MRGPRX4ALDH1A1HSD17B10HSD11B1
SCHEMBL13882859 0.73 LCK (0.33) MRGPRX4ALDH1A1TPMTTTRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 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 (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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 EPHX2 1682/4885PLA2G2D 554/4885MRGPRX4 43/4885
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 EPHX2 2034/4885PLA2G2D 459/4885MRGPRX4 71/4885

“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.