SCHEMBL3305290

SCHEMBL3305290

C=CCOC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
CASP1 P29466 15/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL7606144 1.00 SMN1; SMN2 (0.56) SMN1; SMN2CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL6808253 0.89 CASP1 (0.52) SMN1; SMN2CASP1
SCHEMBL7408059 0.89 SMN1; SMN2 (0.62) SMN1; SMN2CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL17232237 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL27895527 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1701200 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL10884952 0.85 CASP1 (0.59) CASP1
SCHEMBL10888856 0.85 CASP1 (0.59) CASP1
SCHEMBL15722123 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722121 0.84 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349911-B Nitric oxide releasing prodrug molecules 浙江华海药业股份有限公司 2022-05-13 CN disclosed
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-10-29 US disclosed
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2018-09-06 US disclosed
CN-108349911-A Releasable nitric oxide production prodrugs 浙江华海药业股份有限公司 2018-07-31 CN disclosed
EP-3348548-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-07-18 EP disclosed
US-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2015-04-16 US disclosed
US-8933062-B2 Nitric oxide releasing steroids NICOX S.A. (FR) 2015-01-13 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
CN-101652380-A Discharge nitric oxide production steroid NICOX SA FR 2010-02-17 CN disclosed
EP-2118120-A1 NITRIC OXIDE RELEASING STEROIDS Nicox S.A. (FR) 2009-11-18 EP disclosed
WO-2008095806-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 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 (4 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-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 SMN1; SMN2 3698/4885CASP1 1307/4885CYP1A2 144/4885
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines PTGIS, NOS1, NOS2 SMN1; SMN2 3576/4885CASP1 1402/4885CYP1A2 72/4885
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE NOS1, NOS2, PTGIS SMN1; SMN2 3878/4885CASP1 848/4885CYP1A2 79/4885
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 SMN1; SMN2 4107/4885CASP1 1601/4885CYP1A2 166/4885

“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.