SCHEMBL498353

SCHEMBL498353

CCOC(OCC)([PH2]=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
TSHR P16473 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
CREBBP Q92793 1/20 0.39
NPC1 O15118 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39

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
SCHEMBL7751798 0.82 MAPT (0.49) LOXL2CYP4A11TSHRPOLBCA12
SCHEMBL3286925 0.79 CFTR (0.41) TSHRCA12CA1CA2CA9
SCHEMBL498352 0.78 LOXL2 (0.46) LOXL2CYP4F2CYP4A11TSHRMRGPRX4
SCHEMBL1787753 0.75 LOXL2 (0.51) LOXL2CYP4F2CYP4A11TSHRMRGPRX4
SCHEMBL1787501 0.74 ACHE (0.59) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL2892597 0.74 TSHR (0.53) LOXL2CYP4F2CYP4A11TSHRRAB9A
Butane SCHEMBL27366277 0.74 ALDH1A1 (0.62) LOXL2MRGPRX4POLBALDH1A1NOTUM
SCHEMBL29966404 0.73 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL18517387 0.72 CNR2 (0.53) LOXL2CYP4F2CYP4A11TSHRMRGPRX4
SCHEMBL40351 0.72 CES2 (0.65) MRGPRX4RAB9APOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
US-20010037025-A1 New compounds, their preparation and use MURRAY ANTHONY (DK) 2001-11-01 US disclosed
EP-1077919-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
WO-1999058486-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 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 (2 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-20010037025-A1 New compounds, their preparation and use GPR119, SLC5A1, SLC5A2 LOXL2 4024/4885CYP4F2 849/4885CYP4A11 180/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 LOXL2 1476/4885CYP4F2 88/4885CYP4A11 38/4885

“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.