SCHEMBL1964540

SCHEMBL1964540

CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccc(CNCCC(=O)O)cc2)s1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.75
S1PR3 Q99500 7/20 0.75
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CPB1 P15086 1/20 0.47
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL28792556 0.92 S1PR1 (0.64) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1489262 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488643 0.85 S1PR1 (0.60) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1489273 0.84 S1PR1 (0.60) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1488788 0.82 S1PR1 (0.65) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1965807 0.79 S1PR1 (0.85) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488755 0.78 S1PR1 (0.62) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1966417 0.78 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27838317 0.78 S1PR1 (0.86) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966770 0.77 KDM4E (0.61) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2

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
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
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 2/4885KDM4E 4607/4885

“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.