SCHEMBL2069079

SCHEMBL2069079

Cc1nc(-c2ccc(Cl)cc2)sc1COCC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.48
CHEK2 O96017 1/20 0.45
ACKR3 P25106 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NR1D1 P20393 1/20 0.41
GLS O94925 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AGER Q15109 2/20 0.40
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
CHRM4 P08173 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
SCHEMBL2069970 0.86 PPARA (0.61) PPARACHEK2ACKR3CNR1CNR2
SCHEMBL2069948 0.86 PPARA (0.61) PPARACHEK2ACKR3CNR1CNR2
SCHEMBL2069085 0.84 PPARA (0.42) PPARANR1D1MEN1KMT2AFFAR1
SCHEMBL2069131 0.84 MEN1 (0.47) CHEK2ACKR3CNR1CNR2NR1D1
SCHEMBL2069575 0.83 MEN1 (0.48) PPARAACKR3GLSFNTAFNTB
SCHEMBL2069460 0.81 CNR1 (0.52) PPARACNR1CNR2PPARD
SCHEMBL2070349 0.81 PPARA (0.61) PPARAACKR3CNR1CNR2PPARD
SCHEMBL2070708 0.81 PPARA (0.48) PPARAACKR3CNR1CNR2HRH3
SCHEMBL2069923 0.78 PPARA (0.61) PPARAACKR3CNR1CNR2PPARD
SCHEMBL14355694 0.78 GLS (0.41) CHEK2ACKR3GLSFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1862464-A1 NOVEL CYCLIC AMINOPHENYLALKANOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-12-05 EP disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 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 (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-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative PPARA, PPARD, PPARG PPARA 1/4885CHEK2 3869/4885ACKR3 190/4885
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD PPARA 1/4885CHEK2 3810/4885ACKR3 850/4885

“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.