SCHEMBL2612652

SCHEMBL2612652

CCS(=O)(=O)c1cccc(OBO)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.46
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 6/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.38
MEP1B Q16820 1/20 0.38
BRD4 O60885 1/20 0.37
MTNR1B P49286 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL645132 0.86 PSIP1 (0.48) PSIP1NR1H2NR1H3ALDH1A1POLB
SCHEMBL12900979 0.83 DDB1 (0.43) NR1H2NR1H3ALDH1A1GAA
SCHEMBL6208314 0.79 HSD11B1 (0.53) PSIP1POLBHSD11B1MEP1BMTNR1B
SCHEMBL18325885 0.79 GAA (0.47) PSIP1ALDH1A1POLBGAA
SCHEMBL14773591 0.77 TP53 (0.52) PSIP1NR1H2NR1H3ALDH1A1GAA
SCHEMBL27830685 0.77 PSIP1 (0.46) PSIP1NR1H2NR1H3ALDH1A1POLB
SCHEMBL10741172 0.76 PSIP1 (0.48) PSIP1NR1H2NR1H3ALDH1A1POLB
SCHEMBL18184671 0.76 PSIP1 (0.59) PSIP1NR1H2NR1H3
SCHEMBL17263850 0.75 PSIP1 (0.68) PSIP1NR1H2NR1H3ALDH1A1HSD11B1
SCHEMBL16964583 0.75 PSIP1 (0.52) PSIP1NR1H2NR1H3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 US disclosed
US-20110184178-A1 POLYMORPHS OF 5-(3-(ETHYLSULFONYL)PHENYL)-3,8-DIMETHYL-N-(1-METHYLPIPERIDIN-4-YL)-9H-PYRIDO[2,3-B]INDOLE-7-CARBOXAMIDE AND METHODS OF USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-28 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 (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-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PSIP1 3076/4885NR1H2 3919/4885NR1H3 3722/4885
US-20110184178-A1 POLYMORPHS OF 5-(3-(ETHYLSULFONYL)PHENYL)-3,8-DIMETHYL-N-(1-METHYLPIPERIDIN-4-YL)-9H-PYRIDO[2,3-B]INDOLE-7-CARBOXAMIDE AND METHODS OF USE THEREFOR TPH1, CYP3A7, HLA-DRB1 PSIP1 1064/4885NR1H2 2066/4885NR1H3 1489/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PSIP1 3076/4885NR1H2 3919/4885NR1H3 3722/4885

“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.