SCHEMBL1805191

SCHEMBL1805191

CN(C(=O)c1cccc(F)c1)c1cccc(C(=O)O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
TSHR P16473 2/20 0.47
GRM1 Q13255 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
LPAR1 Q92633 1/20 0.42
PARP1 P09874 1/20 0.41
NOTUM Q6P988 1/20 0.41
ACLY P53396 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL1802624 0.88 ACLY (0.43) TSHRACLYNPC1KMT2ALMNA
SCHEMBL20537372 0.87 ACLY (0.42) TSHRACLYNPC1KMT2ALMNA
SCHEMBL1804980 0.86 KDM4E (0.45) TSHRGRM1ACLYMEN1KMT2A
SCHEMBL1804690 0.85 KMT2A (0.46) OPRM1OPRL1TSHRGRM1CES2
SCHEMBL27919385 0.84 TSHR (0.48) OPRM1OPRL1TSHRGRM1CES2
SCHEMBL1807661 0.80 POLB (0.43) NOTUMACLYNPC1KDM4EHPGD
SCHEMBL21899377 0.78 CTNNB1 (0.45) ACLYKDM4E
SCHEMBL30230010 0.78 CTNNB1 (0.45) ACLYKDM4E
SCHEMBL1806600 0.77 NSD2 (0.45) NOTUMNPC1MEN1KMT2ARAB9A
SCHEMBL12551323 0.77 ACLY (0.35) TSHRACLYMEN1KMT2ALMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322502-B1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS AGRO INC (JP) 2019-09-18 EP disclosed
EP-2322502-B1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS AGRO INC (JP) 2019-09-18 EP disclosed
US-9890110-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2018-02-13 US disclosed
US-9890110-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2018-02-13 US disclosed
US-9890110-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2018-02-13 US disclosed
US-20160297750-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2016-10-13 US disclosed
US-20160297750-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2016-10-13 US disclosed
US-20160297750-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2016-10-13 US disclosed
US-9394240-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-07-19 US disclosed
US-9394240-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-07-19 US disclosed
US-8853440-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2014-10-07 US disclosed
US-8853440-B2 Method for producing amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2014-10-07 US disclosed
US-20140296560-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2014-10-02 US disclosed
US-20140296560-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2014-10-02 US disclosed
US-20140296560-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2014-10-02 US disclosed
US-20110137068-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-09 US disclosed
US-20110137068-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-09 US disclosed
US-20110137068-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-09 US disclosed
EP-2322502-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2011-05-18 EP disclosed
EP-2322502-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2011-05-18 EP 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-20140296560-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE AFF4, AFF1, AFF2 OPRM1 1047/4885OPRL1 1914/4885TSHR 56/4885
US-20160297750-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE AFF4, AFF1, AFF2 OPRM1 1047/4885OPRL1 1914/4885TSHR 56/4885
US-20110137068-A1 METHOD FOR PRODUCING AMIDE DERIVATIVE AFF4, AFF1, AFF2 OPRM1 1047/4885OPRL1 1914/4885TSHR 56/4885

“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.