SCHEMBL12439873

SCHEMBL12439873

NC(Cc1ccc(SC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.60
SLC7A5 Q01650 3/20 0.57
PTPN1 P18031 3/20 0.56
PTGS1 P23219 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
TPH1 P17752 1/20 0.49
HIF1A Q16665 4/20 0.49
ALOX15 P16050 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL20166265 1.00 GRB2 (0.60) GRB2SLC7A5PTPN1PTGS1ALPI
SCHEMBL20166238 0.82 PTPRZ1 (0.49) GRB2PTPN1KDM4ETDP1PTPRZ1
SCHEMBL20166236 0.82 PTPRZ1 (0.49) GRB2PTPN1KDM4ETDP1PTPRZ1
SCHEMBL12673222 0.81 SLC7A5 (0.67) GRB2SLC7A5PTPN1PTGS1ALPI
SCHEMBL2310526 0.80 SLC7A5 (0.83) GRB2SLC7A5PTPN1PTGS1ALPI
SCHEMBL28320242 0.80 SLC6A4 (0.43) GRB2SLC7A5PTPN1KDM4ETDP1
SCHEMBL21447956 0.80 SLC6A4 (0.43) GRB2SLC7A5PTPN1KDM4ETDP1
SCHEMBL13957614 0.79 SLC7A5 (0.59) GRB2SLC7A5PTPN1PTGS1ALPI
SCHEMBL26733282 0.78 PTPN1 (0.65) GRB2SLC7A5PTPN1PTGS1ALPI
SCHEMBL43861 0.78 GRB2 (0.76) GRB2SLC7A5PTPN1PTGS1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 US disclosed
EP-3541789-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-09-25 EP disclosed
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
WO-2018093920-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2018-05-24 WO disclosed
US-9199914-B2 Multiple substituted fluoromethanes as selective and bioactive isosteres MEH ASSOCIATES, INC. (US) 2015-12-01 US disclosed
US-9199914-B2 Multiple substituted fluoromethanes as selective and bioactive isosteres MEH ASSOCIATES, INC. (US) 2015-12-01 US disclosed
US-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC. (US) 2012-11-29 US disclosed
US-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC. (US) 2012-11-29 US disclosed
WO-2011097421-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC (US) 2011-08-11 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 (3 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-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 GRB2 2734/4885SLC7A5 4843/4885PTPN1 849/4885
US-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES F2R, FDPS, MRGPRX2 GRB2 589/4885SLC7A5 3913/4885PTPN1 2096/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 GRB2 2734/4885SLC7A5 4843/4885PTPN1 849/4885

“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.