SCHEMBL17044978

SCHEMBL17044978

O=C(O)[C@@](CCC(F)(F)F)(Cc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 5/20 0.35
BCHE P06276 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CES2 O00748 1/20 0.33
AKR1B1 P15121 1/20 0.33
MMP8 P22894 1/20 0.33
CETP P11597 2/20 0.33
EPHX2 P34913 1/20 0.33
PTPRC P08575 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL7022118 0.85 PPARG (0.40) CES1SMN1; SMN2HIF1APTPN1PTPN2
SCHEMBL5674360 0.77 CES1 (0.39) CES1PTPN1PTPN2PTPRBPTPRC
SCHEMBL6741779 0.75 PPARG (0.51) CES1SMN1; SMN2HIF1APTPN1PTPN2
SCHEMBL16754032 0.75 PPARG (0.51) CES1SMN1; SMN2HIF1APTPN1PTPN2
SCHEMBL17044967 0.70 SMN1; SMN2 (0.47) CES1SMN1; SMN2HIF1APTPN1ARG1
SCHEMBL15620629 0.70 SMN1; SMN2 (0.47) CES1SMN1; SMN2HIF1APTPN1ARG1
SCHEMBL7334079 0.70 FDPS (0.50) CES1PTPN1PTPRCTSHR
SCHEMBL11606600 0.67 ALDH1A1 (0.50) CES1SMN1; SMN2HIF1ACES2AKR1B1
SCHEMBL11011925 0.67 GRM2 (0.40) PPARGPPARA
Aniline SCHEMBL2334841 0.66 SLC6A2 (0.42) CES1SMN1; SMN2HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249157-B2 Tricyclic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-20150246930-A1 TRICYCLIC HETEROCYCLE COMPOUNDS BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-09-03 US 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-20150246930-A1 TRICYCLIC HETEROCYCLE COMPOUNDS RCOR3, NR4A3, NCOA3 CES1 1120/4885SMN1; SMN2 4339/4885HIF1A 1536/4885

“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.