SCHEMBL2301028

SCHEMBL2301028

C=Cc1ccc(-c2nnc(N(CCCC)C(=O)c3ccccc3Cl)s2)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.66
S1PR3 Q99500 5/20 0.66
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2298213 0.92 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL2302581 0.90 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL1489950 0.85 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2298296 0.84 S1PR1 (0.54) S1PR1S1PR3ALDH1A1GLARAB9A
SCHEMBL2302624 0.84 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2301727 0.81 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL1968117 0.81 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1967666 0.80 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2297820 0.80 S1PR1 (0.53) S1PR1S1PR3ALDH1A1GLARAB9A
SCHEMBL2297971 0.80 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5

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
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
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 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 (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 2/4885S1PR4 5/4885

“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.