SCHEMBL2297250

SCHEMBL2297250

C=Cc1ccc(-c2nnc(N(CC3CC3)C(=O)c3ccccc3C)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.53
S1PR3 Q99500 6/20 0.41
ALDH1A1 P00352 2/20 0.41
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2297213 0.91 S1PR1 (0.54) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL2297251 0.89 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL2299282 0.84 S1PR1 (0.57) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL2300588 0.83 S1PR1 (0.49) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL1965472 0.80 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2298795 0.80 S1PR1 (0.51) S1PR1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2299214 0.80 S1PR1 (0.68) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL13442760 0.78 S1PR1 (0.41) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL2299002 0.76 S1PR1 (0.62) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL2294742 0.76 S1PR1 (0.56) S1PR1S1PR3ALDH1A1S1PR4S1PR5

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
CN-102186847-A novel 2-amido thiadiazole derivatives ALMIRALL SA 2011-09-14 CN 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
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 3/4885S1PR3 2/4885ALDH1A1 1610/4885

“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.