SCHEMBL278305

SCHEMBL278305

CC(C)(C)c1cc(F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NR3C1 P04150 1/20 0.34
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
RBP4 P02753 2/20 0.32
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
TYR P14679 1/20 0.31
HTT P42858 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL15974121 0.84 NR3C1 (0.36) PTGS1PTGS2NR3C1IDO1MAPT
SCHEMBL19693724 0.84 NR3C1 (0.36) PTGS1PTGS2NR3C1IDO1MAPT
SCHEMBL29519382 0.84 NR3C1 (0.36) PTGS1PTGS2NR3C1IDO1MAPT
SCHEMBL30133804 0.84 NR3C1 (0.36) PTGS1PTGS2NR3C1IDO1MAPT
SCHEMBL29519425 0.83 MEN1 (0.39) PTGS1PTGS2NR3C1PKMKMT2A
SCHEMBL10322751 0.83 MEN1 (0.39) PTGS1PTGS2NR3C1PKMKMT2A
SCHEMBL11949594 0.82 PTGS1 (0.39) PTGS1PTGS2NR3C1ALDH1A1ALOX15
SCHEMBL624437 0.79 IDO1 (0.46) IDO1MAPTSMN1; SMN2LMNAHTT
SCHEMBL29572164 0.79 IDO1 (0.46) IDO1MAPTSMN1; SMN2LMNAHTT
SCHEMBL13403327 0.78 PTGS1 (0.42) PTGS1PTGS2IDO1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
WO-2007039145-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZINYL-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 PTGS1 1005/4885PTGS2 1588/4885NR3C1 640/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 PTGS1 1099/4885PTGS2 1576/4885NR3C1 2109/4885

“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.