SCHEMBL4903775

SCHEMBL4903775

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)O)cc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALOX5 P09917 2/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABRA1 P14867 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
SCHEMBL14067512 0.93 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4894988 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4906060 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14067541 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14076857 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4894901 0.88 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4897905 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4899990 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4927680 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4903463 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ASMN1; 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 ALDH1A1 2874/4885KDM4E 1139/4885FFAR1 4505/4885

“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.