SCHEMBL4901002

SCHEMBL4901002

CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3CNC(C)=O)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR3 Q99500 3/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 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 0.92 ALDH1A1 (0.38) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL4901376 0.90 ALDH1A1 (0.39) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL4901163 0.90 THRB (0.37) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL4904758 0.90 THRB (0.37) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL5540785 0.89 TSHR (0.38) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL4898051 0.89 TSHR (0.36) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL14067449 0.89 ALDH1A1 (0.38) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL4903178 0.89 ALDH1A1 (0.35) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL16021064 0.88 TSHR (0.38) TSHRTHRBALDH1A1KDM4EPOLB
SCHEMBL4908683 0.88 GRM5 (0.36) TSHRTHRBALDH1A1KDM4EPOLB

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 3 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
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.