SCHEMBL4898051

SCHEMBL4898051

CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL14067482 0.94 ALDH1A1 (0.38) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4908683 0.93 GRM5 (0.36) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4901376 0.92 ALDH1A1 (0.39) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4904758 0.92 THRB (0.37) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4901163 0.92 THRB (0.37) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL14067449 0.91 ALDH1A1 (0.38) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4903178 0.91 ALDH1A1 (0.35) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4901321 0.90 THRB (0.35) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL5546966 0.89 ALDH1A1 (0.37) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL4909515 0.89 ALDH1A1 (0.37) TSHRTHRBALDH1A1KDM4ESMN1; SMN2

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 TSHR 4605/4885THRB 3610/4885ALDH1A1 2874/4885

“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.