SCHEMBL2296944

SCHEMBL2296944

CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cc(C)c(OCC(O)CO)c(C)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.60
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
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 1/20 0.43
S1PR5 Q9H228 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1967867 0.93 S1PR1 (0.65) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966028 0.93 S1PR1 (0.65) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1964557 0.93 S1PR1 (0.60) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966023 0.93 S1PR1 (0.65) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1965604 0.88 S1PR1 (0.52) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966161 0.86 S1PR1 (0.68) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1964781 0.85 S1PR1 (0.62) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1964783 0.85 S1PR1 (0.62) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1967974 0.85 S1PR1 (0.64) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1488773 0.85 S1PR1 (0.63) S1PR1KDM4EALDH1A1HPGDUBE2N

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 7 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
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO 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
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 3/4885KDM4E 4607/4885ALDH1A1 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.