SCHEMBL1716486

SCHEMBL1716486

CC(C)(CC(=O)C(F)(F)F)c1cc(Br)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
DGAT1 O75907 1/20 0.36
S1PR4 O95977 1/20 0.35
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
IDO1 P14902 3/20 0.34
PTGFR P43088 2/20 0.33
RBP4 P02753 1/20 0.33
AR P10275 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLOD2 O00469 1/20 0.32
CES2 O00748 1/20 0.32
GALR3 O60755 1/20 0.32

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
SCHEMBL1716316 0.81 PTGDR2 (0.45) PTGDR2S1PR4IDO1ALDH1A1LMNA
SCHEMBL1492523 0.76 PLOD2 (0.38) NPC1LMNARAB9AKMT2ASMN1; SMN2
SCHEMBL1492608 0.76 PLOD2 (0.38) IDO1ARNPC1ALDH1A1RAB9A
SCHEMBL19917715 0.75 CHRNB2 (0.35) PTGDR2DGAT1PTPN7DUSP3
SCHEMBL1492520 0.74 CA1 (0.44) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL1492562 0.73 CA1 (0.41) LMNAGAAKMT2ASMN1; SMN2
SCHEMBL29465742 0.73 GRIN2B (0.39) PTGDR2DGAT1PTPN7DUSP3IDO1
SCHEMBL4435565 0.73 GRIN2B (0.39) PTGDR2DGAT1PTPN7DUSP3IDO1
SCHEMBL16437892 0.72 PTGDR2 (0.43) PTGDR2DGAT1IDO1PTGFRRBP4
SCHEMBL17391120 0.72 PTGDR2 (0.43) PTGDR2DGAT1PTGFRRBP4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R PTGDR2 269/4885DGAT1 4365/4885S1PR4 352/4885

“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.