SCHEMBL1964091

SCHEMBL1964091

CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(OCC(=O)O)c(C)c2)s1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.66
S1PR3 Q99500 7/20 0.59
S1PR4 O95977 1/20 0.49
S1PR5 Q9H228 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
UBE2N P61088 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1970415 0.92 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1968240 0.91 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1489125 0.90 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL12386204 0.89 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1966814 0.89 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1488870 0.89 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1489021 0.89 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL12779879 0.88 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL12830873 0.87 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488988 0.87 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5KDM4E

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 12 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 claimed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP claimed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO claimed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 EP claimed
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
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 EP disclosed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 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 (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.