SCHEMBL964303

SCHEMBL964303

CCC(=Cc1c(C(F)(F)F)nn(C)c1-n1ccc2cccnc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
MTNR1A P48039 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PARP1 P09874 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
TBXAS1 P24557 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ENPP1 P22413 1/20 0.32
BRAF P15056 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL964302 1.00 ELANE (0.36) ELANEMTNR1ACYP1A2CYP2D6PARP1
SCHEMBL962302 0.86 PARP1 (0.38) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL962301 0.86 PARP1 (0.38) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL966216 0.85 MTNR1A (0.35) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL966215 0.85 MTNR1A (0.35) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL962639 0.82 ELANE (0.36) ELANEMTNR1ACYP1A2CYP2D6PARP1
SCHEMBL962638 0.82 ELANE (0.36) ELANEMTNR1ACYP1A2CYP2D6PARP1
SCHEMBL962789 0.82 MTNR1A (0.34) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL962781 0.82 MTNR1A (0.34) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL964593 0.82 KDM4E (0.37) ELANEMTNR1ACYP1A2CYP2D6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ELANE 3595/4885MTNR1A 69/4885CYP1A2 665/4885

“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.