SCHEMBL16178994

SCHEMBL16178994

CCOC(=O)C(C)C(=O)C(C#N)C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 3/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11445122 0.81 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL5143571 0.80 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7711580 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL858260 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL10325478 0.75 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL141446 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL163958 0.74
SCHEMBL18982823 0.74
SCHEMBL30193793 0.74
SCHEMBL11240243 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905316-B Protein kinase inhibitors 上海复尚慧创医药研究有限公司 2021-06-01 CN disclosed
EP-2986611-B1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2019-02-06 EP disclosed
US-10022374-B2 Certain protein kinase inhibitors SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-07-17 US disclosed
US-20170105994-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2017-04-20 US disclosed
US-9556171-B2 Certain protein kinase inhibitors SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-01-31 US disclosed
US-20160083376-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2016-03-24 US disclosed
EP-2986611-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2016-02-24 EP disclosed
WO-2014169843-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2014-10-23 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 (3 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-20170105994-A1 CERTAIN PROTEIN KINASE INHIBITORS PRKACA, PRKACB, PRKDC ALDH1A1 4186/4885TSHR 2111/4885MEN1 4052/4885
US-20160083376-A1 CERTAIN PROTEIN KINASE INHIBITORS PRKACA, PRKACB, PRKDC ALDH1A1 4186/4885TSHR 2111/4885MEN1 4052/4885
US-10022374-B2 Certain protein kinase inhibitors PRKACA, PRKACB, PRKDC ALDH1A1 4186/4885TSHR 2111/4885MEN1 4052/4885

“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.