SCHEMBL2944870

SCHEMBL2944870

OCCC#Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.48
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
GRM5 P41594 6/20 0.41
PIN1 Q13526 1/20 0.40
EGFR P00533 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL2949406 0.89 GRM5 (0.46) ASIC3CA12CA2CA9CA1
SCHEMBL378818 0.85 CA12 (0.46) CA12CA2CA9CA1GRM5
SCHEMBL11556179 0.82 ESR2 (0.50) ASIC3
SCHEMBL3455825 0.79 ASIC3 (0.49) ASIC3GRM5EGFRHTR2CHTR2B
SCHEMBL11555006 0.78 FFAR1 (0.42) HTR2CHTR2B
SCHEMBL24300824 0.78 ASIC3 (0.48) ASIC3GRM5
SCHEMBL5425213 0.78 ASIC3 (0.62) ASIC3CA12CA2CA9CA1
SCHEMBL30574457 0.78 MEN1 (0.48) ASIC3GRM5EGFRHTR2CHTR2B
SCHEMBL30574467 0.78 ASIC3 (0.48) ASIC3GRM5EGFRHTR2CHTR2B
SCHEMBL1067293 0.77 GRM5 (0.41) CA12CA2CA9CA1GRM5

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 4 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-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 ASIC3 2995/4885CA12 4878/4885CA2 4402/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 ASIC3 3441/4885CA12 4536/4885CA2 4529/4885

“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.