SCHEMBL6854583

SCHEMBL6854583

Cc1[nH]c2ccccc2c1CC(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
TACR1 P25103 2/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
SSTR3 P32745 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41

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
SCHEMBL23127318 0.89 ATM (0.56) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL28556906 0.89 ATM (0.56) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL26996502 0.86 MAPT (0.48) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL28676764 0.84 ACE (0.52) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL8530675 0.84 ACE (0.52) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL14164211 0.83 TACR1 (0.52) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL6853465 0.82 TACR1 (0.52) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL3292812 0.79 ATM (0.47) GAAATMTACR1CTSLCTSS
SCHEMBL6855430 0.79 HDAC3 (0.46) SSTR3HDAC3HDAC1HDAC2HDAC4
SCHEMBL6409052 0.78 CTSL (0.63) MAPTGAAPOLBTACR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 3336/4885ALDH1A1 3292/4885KDM4E 1738/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPT 3336/4885ALDH1A1 3292/4885KDM4E 1738/4885

“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.