SCHEMBL3213469

SCHEMBL3213469

O=C(F)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
CES1 P23141 2/20 0.45
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
IDO1 P14902 2/20 0.41
SMO Q99835 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RX1 P51575 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
KEAP1 Q14145 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL334641 0.86 KEAP1 (0.52) CES2KMT2AATMCES1HCRTR1
SCHEMBL28462767 0.86 KMT2A (0.55) CES2KMT2AATMCES1HCRTR1
SCHEMBL25902682 0.82 CES2 (0.47) CES2KMT2AATMCES1HCRTR1
SCHEMBL1032909 0.82 CES2 (0.47) CES2KMT2AATMCES1HCRTR1
SCHEMBL29789763 0.82 CES2 (0.47) CES2KMT2AATMCES1HCRTR1
SCHEMBL2074860 0.82 KMT2A (0.49) CES2KMT2AATMCES1HCRTR1
SCHEMBL679186 0.82 CES2 (0.47) CES2KMT2AATMCES1HCRTR1
SCHEMBL30133947 0.82 KMT2A (0.49) CES2KMT2AATMCES1HCRTR1
SCHEMBL7448723 0.82 CES2 (0.47) CES2KMT2AATMCES1HCRTR1
Hydrochloric Acid SCHEMBL4372847 0.81 CES2 (0.46) CES2KMT2AATMCES1HCRTR1

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-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 CN disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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 (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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CES2 1233/4885KMT2A 1609/4885ATM 4180/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CES2 1013/4885KMT2A 1591/4885ATM 4041/4885

“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.