SCHEMBL2813748

SCHEMBL2813748

COc1ccc(Sc2cccc(Cl)c2C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP2 P08253 5/20 0.45
MMP9 P14780 5/20 0.45
MMP12 P39900 5/20 0.45
MMP14 P50281 1/20 0.45
POLB P06746 2/20 0.43
DHFR P00374 1/20 0.42
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL13999493 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL5320711 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL273973 0.74 ALDH1A1 (0.57) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL10999594 0.73 MAPT (0.47) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL30548759 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL11430842 0.72 MMP2 (0.63) KMT2AMMP2MMP9MMP12MMP14
SCHEMBL2963609 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL16494533 0.71 ALDH1A1 (0.43) ALDH1A1MMP2MMP9MMP12MMP14
SCHEMBL18795412 0.70 MAPT (0.46) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL459037 0.69 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 MEN1 3665/4885KMT2A 4710/4885ALDH1A1 2185/4885

“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.