SCHEMBL1966424

SCHEMBL1966424

CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2C)s1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.80
S1PR3 Q99500 7/20 0.79
S1PR4 O95977 1/20 0.61
S1PR5 Q9H228 1/20 0.61
LMNA P02545 1/20 0.45
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

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
SCHEMBL1966678 0.94 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1964841 0.91 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1969049 0.90 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1647943 0.89 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1964964 0.89 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966681 0.88 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1966070 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1963847 0.87 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3629337 0.87 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1965049 0.87 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5LMNA

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 9 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 claimed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US claimed
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
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO 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.