Sugi Predict

Sugi Predict / Compounds / SCHEMBL18190822

SCHEMBL18190822

SCHEMBL18190822

CCOC(=O)C(C(=O)OCC)c1c(C(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 5/20 0.42
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CACNA1C Q13936 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL18190810 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL4408529 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL27916053 0.78 TSHR (0.62) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL28768690 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL28536439 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL17083920 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL31150407 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL4748764 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL1185665 0.76 TSHR (0.48) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL1185557 0.75 GPR35 (0.53) ALDH1A1MAPTTSHRL3MBTL1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873030-B 5-HT2CReceptor agonists and compositions and methods of use 艾尼纳制药公司 2021-03-19 — — CN disclosed
US-10392390-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
EP-3288946-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2019-08-21 — — EP disclosed
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-07-05 — — US disclosed
EP-3288946-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2018-03-07 — — EP disclosed
WO-2016176177-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2016-11-03 — — 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 (2 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-10392390-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 ALDH1A1 2185/4885SMN1; SMN2 440/4885GAA 760/4885
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 ALDH1A1 2185/4885SMN1; SMN2 440/4885GAA 760/4885

“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.