SCHEMBL2069037

SCHEMBL2069037

COC(=O)c1ccccc1N1CCCC(C(=O)NCc2sc(-c3ccc(Cl)cc3)nc2C)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.51
MAPT P10636 6/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 1/20 0.49
GPBAR1 Q8TDU6 3/20 0.46
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ALK Q9UM73 1/20 0.43

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
SCHEMBL2072276 0.93 PPARA (0.56) PPARAMAPTTP53LMNAGPBAR1
SCHEMBL2069992 0.93 PPARA (0.56) PPARAMAPTTP53LMNAGPBAR1
SCHEMBL2069318 0.93 PPARA (0.56) PPARAMAPTTP53LMNAGPBAR1
SCHEMBL3890836 0.88 PPARA (0.49) PPARAMAPTTP53LMNAGPBAR1
SCHEMBL3893838 0.88 PPARA (0.52) PPARAMAPTTP53LMNAGPBAR1
SCHEMBL2069428 0.87 PPARA (0.67) PPARA
SCHEMBL2070589 0.85 PPARA (0.67) PPARAMAPTTP53LMNATHRB
SCHEMBL2069029 0.85 PPARA (0.44) PPARAMAPTTP53LMNATHRB
SCHEMBL2070633 0.85 PPARA (0.65) PPARAMAPTTP53LMNATHRB
SCHEMBL2069360 0.85 MAPT (0.54) MAPTTP53LMNAGPBAR1KDM4E

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 7 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-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 (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-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD PPARA 1/4885MAPT 4544/4885TP53 2840/4885

“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.