SCHEMBL2298171

SCHEMBL2298171

C=Cc1ccc(-c2nnc(N(CCOC)C(=O)c3ccccc3F)s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.59
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
S1PR3 Q99500 5/20 0.54
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR5 Q9H228 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL2300103 0.91 S1PR1 (0.60) S1PR1ALDH1A1RAB9ASMN1; SMN2S1PR3
SCHEMBL2300314 0.89 S1PR1 (0.64) S1PR1ALDH1A1SMN1; SMN2S1PR3HSD17B10
SCHEMBL12779863 0.88 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2299002 0.87 S1PR1 (0.62) S1PR1ALDH1A1RAB9ASMN1; SMN2S1PR3
SCHEMBL2299278 0.87 S1PR1 (0.66) S1PR1ALDH1A1RAB9ASMN1; SMN2S1PR3
SCHEMBL2299296 0.83 S1PR1 (0.61) S1PR1ALDH1A1RAB9ASMN1; SMN2S1PR3
SCHEMBL2297251 0.82 S1PR1 (0.67) S1PR1RAB9AS1PR3NPC1L3MBTL1
SCHEMBL2296865 0.81 S1PR1 (0.65) S1PR1ALDH1A1SMN1; SMN2S1PR3HSD17B10
SCHEMBL1967391 0.79 S1PR1 (0.83) S1PR1ALDH1A1RAB9ASMN1; SMN2S1PR3
SCHEMBL2300532 0.79 S1PR1 (0.65) S1PR1ALDH1A1RAB9ASMN1; SMN2S1PR3

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 3/4885ALDH1A1 1610/4885RAB9A 3103/4885

“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.