SCHEMBL20096366

SCHEMBL20096366

CC(C)C1=C(C#N)C(c2ccc(F)cc2)NC(O)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL28052753 0.81 ALDH1A1 (0.34) CUL4AALDH1A1GAASMN1; SMN2TDP1
SCHEMBL20096385 0.67 TDP1 (0.47) ALDH1A1GAASMN1; SMN2TDP1KMT2A
SCHEMBL6137178 0.60 ELANE (0.43) CUL4AALDH1A1GAATDP1KMT2A
SCHEMBL10153183 0.60 GAA (0.56) GAASMN1; SMN2TDP1KMT2AMAPT
SCHEMBL13118736 0.60 TDP1 (0.57) ALDH1A1GAASMN1; SMN2TDP1KMT2A
SCHEMBL14248201 0.59 GAA (0.55) GAASMN1; SMN2TDP1KMT2AMAPT
SCHEMBL10330877 0.57 TDP1 (0.53) ALDH1A1GAASMN1; SMN2TDP1KMT2A
SCHEMBL2647640 0.56 CACNA1F (0.44) GAATDP1KMT2AMAPTMEN1
SCHEMBL7185278 0.55 CUL4A (0.37) CUL4AALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL2344407 0.54 KCNH2 (0.43) GAA

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
CN-113135859-B Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2022-08-26 CN claimed
CN-113135859-A Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2021-07-20 CN claimed
CN-113135859-B Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2022-08-26 CN disclosed
CN-113135859-B Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2022-08-26 CN disclosed
CN-113135859-A Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2021-07-20 CN disclosed
CN-113135859-A Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2021-07-20 CN disclosed
US-20180111906-A1 IMPROVED PROCESS FOR PREPARING A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-04-26 US 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-20180111906-A1 IMPROVED PROCESS FOR PREPARING A STATIN PRECURSOR HMGCR, CYP11B1, OSBP CUL4A 148/4885ALDH1A1 1322/4885GAA 2141/4885

“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.