SCHEMBL20168386

SCHEMBL20168386

CCOP(=O)(Cl)NC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
LAP3 P28838 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL20168384 1.00 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ETP53TDP1
SCHEMBL20181855 0.84 TDP1 (0.39) ALDH1A1TSHRTP53TDP1GAA
SCHEMBL25766390 0.81 TP53 (0.36) ALDH1A1TSHRKDM4ETP53TDP1
SCHEMBL26367006 0.79 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EGAACYP3A4
SCHEMBL10892287 0.78 TP53 (0.48) ALDH1A1TSHRTP53TDP1GAA
SCHEMBL19209641 0.72 KDM4E (0.31) ALDH1A1TSHRKDM4ESMN1; SMN2MME
SCHEMBL10903192 0.71 TP53 (0.44) TSHRTP53TDP1GAACYP3A4
SCHEMBL3094628 0.70 TSHR (0.42) ALDH1A1TSHRKDM4EGAACA12
SCHEMBL25287145 0.69 ALDH1A1 (0.36) ALDH1A1TSHRKDM4ECYP3A4SMN1; SMN2
SCHEMBL25286433 0.69 ALDH1A1 (0.42) ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048228-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA ONCOLOGY, INC. 2020-02-13 US disclosed
WO-2018094275-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2018-05-24 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-20200048228-A1 ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CDK2, CDK3 ALDH1A1 3857/4885TSHR 2355/4885KDM4E 767/4885

“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.