SCHEMBL2298394

SCHEMBL2298394

CCN(C(=O)c1cccc(Cl)c1F)c1nnc(-c2ccc(C=O)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.54
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
S1PR3 Q99500 7/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL2294766 0.92 S1PR1 (0.52) S1PR1KDM4ERAB9AHSD17B10ALOX15
SCHEMBL2299676 0.90 S1PR1 (0.58) S1PR1KDM4ERAB9AHSD17B10ALOX15
SCHEMBL2298013 0.89 S1PR1 (0.58) S1PR1KDM4EHSD17B10S1PR3ALDH1A1
SCHEMBL2300532 0.85 S1PR1 (0.65) S1PR1KDM4ERAB9AHSD17B10ALOX15
SCHEMBL1966625 0.82 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2294742 0.82 S1PR1 (0.56) S1PR1KDM4ERAB9AHSD17B10ALOX15
SCHEMBL2297971 0.81 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1649676 0.81 S1PR1 (0.44) S1PR1KDM4ERAB9AHSD17B10ALOX15
Ammonia Solution, Strong SCHEMBL27838331 0.80 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1965196 0.80 S1PR1 (0.69) S1PR1KDM4EHSD17B10S1PR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 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 (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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 S1PR1 3/4885KDM4E 4607/4885RAB9A 3103/4885

“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.