SCHEMBL2950490

SCHEMBL2950490

OCCC#Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
PTPN1 P18031 1/20 0.46
ASIC3 Q9UHC3 1/20 0.45
GRM5 P41594 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
PTGES O14684 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CES2 O00748 1/20 0.40
MGLL Q99685 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PNMT P11086 1/20 0.38
ACP3 P15309 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 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
SCHEMBL2951986 0.90 FFAR1 (0.47) FFAR1PTPN1GRM5PTGDR2PTGES
SCHEMBL2946792 0.89 HTR2C (0.48) FFAR1PTPN1GRM5PTGDR2PTGES
SCHEMBL1591331 0.86 FFAR1 (0.51) FFAR1PTPN1GRM5PTGDR2PTGES
SCHEMBL3937119 0.83 GRM5 (0.47) FFAR1PTPN1GRM5PTGDR2PTGES
SCHEMBL16829668 0.82 SHMT1 (0.40) FFAR1ASIC3CES2
SCHEMBL3936713 0.81 GRM5 (0.45) FFAR1PTPN1GRM5PTGES
SCHEMBL30873473 0.80 GRM5 (0.58) FFAR1PTPN1GRM5PTGDR2PTGES
SCHEMBL4174001 0.79 GRM5 (0.49) FFAR1PTPN1GRM5PTGDR2PTGES
SCHEMBL7517707 0.79 FFAR1 (0.62) FFAR1PTPN1PTGDR2PTGESCES2
SCHEMBL2955184 0.79 GABRP (0.43) PTPN1CES2MGLL

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-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 US disclosed
EP-0194764-B1 PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-07-12 EP disclosed
EP-0194764-A1 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-09-17 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 (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-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example S1PR1, S1PR2, S1PR5 FFAR1 22/4885PTPN1 525/4885ASIC3 2995/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 FFAR1 193/4885PTPN1 680/4885ASIC3 3441/4885

“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.