SCHEMBL16290378

SCHEMBL16290378

O=C(O)CC1(F)C=CC(c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.35
FFAR1 O14842 1/20 0.33
HTT P42858 2/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
PTPN1 P18031 1/20 0.30
GSK3B P49841 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL7440029 0.83 HSD11B1 (0.36) HSD11B1FFAR1HTTPKMALDH1A1
SCHEMBL27602702 0.83 LMNA (0.32) LMNA
SCHEMBL9008595 0.81
SCHEMBL27812551 0.80
SCHEMBL28646433 0.79 SMN1; SMN2 (0.34) PKMALDH1A1KMT2AMEN1LMNA
SCHEMBL27385170 0.79 HSD11B1 (0.35) HSD11B1FFAR1HTTPKMKMT2A
SCHEMBL27602697 0.78 HSD11B1 (0.33) HSD11B1FFAR1
SCHEMBL8754613 0.77 L3MBTL1 (0.30)
SCHEMBL27589277 0.77 HSD11B1 (0.33) HSD11B1FFAR1HTTALDH1A1MAPT
SCHEMBL3947332 0.76 THRB (0.31) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103274961-B The Compounds and methods for for the treatment of cell generation disorders KINEX PHARMACEUTICALS LLC (US) 2016-05-18 CN disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
CN-103274961-A Compositions and methods of treating cell proliferation disorders KINEX PHARMACEUTICALS LLC 2013-09-04 CN disclosed
CN-101184734-B Compounds and methods for treating cell proliferation disorders KINEX PHARMACEUTICALS LLC 2013-05-29 CN disclosed
CN-101184734-A Compounds and methods for treating cell proliferation disorders KINEX PHARMACEUTICALS LLC (US) 2008-05-21 CN 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC HSD11B1 330/4885FFAR1 59/4885HTT 3823/4885

“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.