SCHEMBL3583092

SCHEMBL3583092

NC(=O)c1[nH]c2ccccc2c1C[CH]C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FOLH1 Q04609 1/20 0.43
EGFR P00533 2/20 0.42
SRC P12931 1/20 0.42
MCL1 Q07820 4/20 0.40
HTR6 P50406 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38

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
SCHEMBL631701 0.82 MAP2 (0.53) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL2983431 0.81 MAP2 (0.51) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4033965 0.80 MAP2 (0.50) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4666069 0.78 MAP2 (0.48) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL5279031 0.77 MAP2 (0.57) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL28746390 0.76 MCL1 (0.57) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4042667 0.76 MAP2 (0.46) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL4262908 0.75 KDM4E (0.62) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL5495499 0.75 HTR6 (0.66) MAP2KDM4EALDH1A1FOLH1EGFR
SCHEMBL9266502 0.74 MAP2 (0.50) MAP2KDM4EALDH1A1FOLH1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741361-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-06-22 US claimed
EP-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP claimed
US-20060154925-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-13 US claimed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
US-7741361-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1836166-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2009-06-17 EP disclosed
EP-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP disclosed
US-20060154925-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-13 US disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 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 (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-20060154925-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R MAP2 2176/4885KDM4E 3404/4885ALDH1A1 4020/4885

“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.