SCHEMBL2644054

SCHEMBL2644054

O=C(CCC1c2c(F)cccc2C(=O)N1Cc1ccc(F)cc1)Nc1ccc(C(=O)OCc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CXCR2 P25025 2/20 0.39
MAPT P10636 4/20 0.38
PRKAA2 P54646 5/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CXCR1 P25024 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
BDKRB1 P46663 1/20 0.35

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
SCHEMBL2669448 0.93 CXCR2 (0.39) TSHRCXCR2MAPTPRKAA2CXCR1
SCHEMBL2644090 0.92 ALDH1A1 (0.41) TSHRCXCR2MAPTALDH1A1GAA
SCHEMBL2643416 0.90 TSHR (0.41) TSHRMAPTPRKAA2ALDH1A1GAA
SCHEMBL2643521 0.90 TSHR (0.41) TSHRMAPTPRKAA2ALDH1A1GAA
SCHEMBL2643419 0.90 TSHR (0.41) TSHRMAPTPRKAA2ALDH1A1GAA
SCHEMBL2664043 0.89 MAPT (0.40) TSHRMAPTPRKAA2ALDH1A1GAA
SCHEMBL2643590 0.89 MAPT (0.40) TSHRMAPTPRKAA2ALDH1A1GAA
SCHEMBL2643593 0.89 MAPT (0.40) TSHRMAPTPRKAA2ALDH1A1GAA
SCHEMBL2644105 0.87 MAPT (0.46) TSHRMAPTPRKAA2ALDH1A1HTT
SCHEMBL2643618 0.86 MAPT (0.40) TSHRMAPTALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 TSHR 3340/4885CXCR2 3003/4885MAPT 3322/4885

“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.